Account 2,2,2-trifluoroacetic acid--5-((2-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-4-(1-((20,23-bis((1H-indol-3-yl)methyl)-9-(2-(2-(2-(2-(2-acetamidoacetamido)-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-17-(4-aminobutyl)-37-(3-guanidinopropyl)-31,34-bis(4-hydroxybenzyl)-6-(hydroxymethyl)-40-isobutyl-5,8,16,19,22,25,30,33,36,39,42-undecaoxooctatriacontahydro-1H,13H-dipyrrolo[2,1-e1:2',1'-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35]undecaazacyclooctatriacontine-14-carbonyl)threonyltyrosylprolylaspartyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid (1/1)
- Catalog No. :
- ACFRYM859
- CAS No. :
- 478188-26-0
- Molecular Formula :
- C143H186F3N35O42S2
- Molecular Weight :
- 3188.39
IUPAC Name:2,2,2-trifluoroacetic acid--5-((2-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-4-(1-((20,23-bis((1H-indol-3-yl)methyl)-9-(2-(2-(2-(2-(2-acetamidoacetamido)-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-17-(4-aminobutyl)-37-(3-guanidinopropyl)-31,34-bis(4-hydroxybenzyl)-6-(hydroxymethyl)-40-isobutyl-5,8,16,19,22,25,30,33,36,39,42-undecaoxooctatriacontahydro-1H,13H-dipyrrolo[2,1-e1:2',1'-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35]undecaazacyclooctatriacontine-14-carbonyl)threonyltyrosylprolylaspartyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid (1/1)
![2,2,2-trifluoroacetic acid--5-((2-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-4-(1-((20,23-bis((1H-indol-3-yl)methyl)-9-(2-(2-(2-(2-(2-acetamidoacetamido)-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-17-(4-aminobutyl)-37-(3-guanidinopropyl)-31,34-bis(4-hydroxybenzyl)-6-(hydroxymethyl)-40-isobutyl-5,8,16,19,22,25,30,33,36,39,42-undecaoxooctatriacontahydro-1H,13H-dipyrrolo[2,1-e1:2',1'-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35]undecaazacyclooctatriacontine-14-carbonyl)threonyltyrosylprolylaspartyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid (1/1) structure diagram](/images/productimg/no-pic.svg)
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| Product Name | 2,2,2-trifluoroacetic acid--5-((2-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-4-(1-((20,23-bis((1H-indol-3-yl)methyl)-9-(2-(2-(2-(2-(2-acetamidoacetamido)-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-17-(4-aminobutyl)-37-(3-guanidinopropyl)-31,34-bis(4-hydroxybenzyl)-6-(hydroxymethyl)-40-isobutyl-5,8,16,19,22,25,30,33,36,39,42-undecaoxooctatriacontahydro-1H,13H-dipyrrolo[2,1-e1:2',1'-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35]undecaazacyclooctatriacontine-14-carbonyl)threonyltyrosylprolylaspartyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid (1/1) |
|---|---|
| IUPAC Name | 2,2,2-trifluoroacetic acid--5-((2-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-4-(1-((20,23-bis((1H-indol-3-yl)methyl)-9-(2-(2-(2-(2-(2-acetamidoacetamido)-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-17-(4-aminobutyl)-37-(3-guanidinopropyl)-31,34-bis(4-hydroxybenzyl)-6-(hydroxymethyl)-40-isobutyl-5,8,16,19,22,25,30,33,36,39,42-undecaoxooctatriacontahydro-1H,13H-dipyrrolo[2,1-e1:2',1'-p][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35]undecaazacyclooctatriacontine-14-carbonyl)threonyltyrosylprolylaspartyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid (1/1) |
| MDL No. | MFCD09037409 |
| Molecular Formula | C143H186F3N35O42S2 |
| Molecular Weight | 3188.39 |
| SMILES | CC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(=O)NC(CC1=CNC=N1)C(=O)NC1CSSCC(C(=O)NC(C(=O)NC(CC2=CC=C(O)C=C2)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(N)=O)C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(CO)NC1=O.O=C(O)C(F)(F)F |
| InChI Key | OXNRLFLIPDHJEQ-UHFFFAOYSA-N |
| Synonym | AC-GLY-ASP-TYR-SER-HIS-CYS-SER-PRO-LEU-ARG-TYR-TYR-PRO-TRP-TRP-LYS-CYS-THR-TYR-PRO-ASP-PRO-GLU-GLY-GLY-GLY-NH2, (DISULFIDE BOND) TRIFLUOROACETATE;DX-600;Ac-Gly-Asp-Tyr-Ser-His-Cys-Ser-Pro-Leu-Arg-Tyr-Tyr-Pro-Trp-Trp-Lys-Cys-Thr-Tyr-Pro-Asp-Pro-Glu-Gly-Gly-Gly-NH2 trifluoroacetate salt (Disulfide bond);Ac-Gly-Asp-Tyr-Ser-His-Cys-Ser-Pro-Leu-Arg-Tyr-Tyr-Pro-Trp-Trp-Lys-Cys-Thr-Tyr-Pro-Asp-Pro-Glu-Gly-Gly-Gly-NH trifluoroacetate salt (Disulfide bond);Ac-Gly-Asp-Tyr-Ser-His-Cys-Ser-Pro-Leu-Arg-Tyr-Tyr-Pro-Trp-Trp-Lys-Cys-Thr-Tyr-Pro-Asp-Pro-Glu-Gly-Gly-Gly-NH2 (Disulfide bond);Glycinamide, N-acetylglycyl-L-α-aspartyl-L-tyrosyl-L-seryl-L-histidyl-L-cysteinyl-L-seryl-L-prolyl-L-leucyl-L-arginyl-L-tyrosyl-L-tyrosyl-L-prolyl-L-tryptophyl-L-tryptophyl-L-lysyl-L-cysteinyl-L-threonyl-L-tyrosyl-L-prolyl-L-α-aspartyl-L-prolyl-L-α-glutamylglycylglycyl-, cyclic (6→17)-disulfide;Angiotensin I Converting Enzyme 2 (ACE-2) Inhibitor, DX 600 - 0.1 mg |
| CAS No. | 478188-26-0 |
Synthetic Route by SureRoute
2. ACFRYM859 Molecular Building Block Synthetic Route
L-serylglycyl-L-glutaminyl-L-tyrosyl-L-alanyl-L-seryl-L-tyrosyl-L-histidyl-L-cysteinyl-L-tryptophyl-L-cysteinyl-L-tryptophyl-L-arginyl-L-aspartyl-L-prolylglycyl-L-arginyl-L-serylglycylglycyl-L-seryl-L-lysine
2-((3S,9R,12S,15S,18S,21S,24R,27S,30S,33S,36S,39S,42R,47R,50S,58aS,61R,68R)-33-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-50-(2-amino-2-oxoethyl)-3,18-bis(4-aminobutyl)-68-carbamoyl-27,39-bis(3-guanidinopropyl)-12,15-bis(hydroxymethyl)-36-methyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,48,51,54,60,66-nonadecaoxo-61-(2-((S)-5-oxopyrrolidine-2-carboxamido)acetamido)tetrapentacontahydro-1H,46H-47,24-(epiminopropanodithiomethano)-9,42-(methanodithioethanoiminomethano)pyrrolo[2,1-t1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53]heptadecaazacyclohexapentacontin-30-yl)acetic acid
(S)-2-acetamido-N1-((S)-1-(((4R,7S,10S,13S,19S,22S,25R)-4-(((S)-6-amino-1-(((2S,3R)-1-(((S)-1-((S)-2-(((S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)carbamoyl)-7-(3-amino-3-oxopropyl)-10,22-bis(4-aminobutyl)-13,19-bis(3-guanidinopropyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosan-25-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)succinamide