Account ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-((S)-2-((S)-4-amino-2-((S)-2-((S)-2-((S)-2,4-diamino-4-oxobutanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-4-oxobutanamido)-3-(4-hydroxyphenyl)propanamido)-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine
- Catalog No. :
- ACWHQN825
- CAS No. :
- 118447-40-8
- Molecular Formula :
- C79H112N22O30S6
- Molecular Weight :
- 2042.29
IUPAC Name:((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-((S)-2-((S)-4-amino-2-((S)-2-((S)-2-((S)-2,4-diamino-4-oxobutanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-4-oxobutanamido)-3-(4-hydroxyphenyl)propanamido)-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine
![((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-((S)-2-((S)-4-amino-2-((S)-2-((S)-2-((S)-2,4-diamino-4-oxobutanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-4-oxobutanamido)-3-(4-hydroxyphenyl)propanamido)-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-((S)-2-((S)-4-amino-2-((S)-2-((S)-2-((S)-2,4-diamino-4-oxobutanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-4-oxobutanamido)-3-(4-hydroxyphenyl)propanamido)-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine |
|---|---|
| IUPAC Name | ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-((S)-2-((S)-4-amino-2-((S)-2-((S)-2-((S)-2,4-diamino-4-oxobutanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-4-oxobutanamido)-3-(4-hydroxyphenyl)propanamido)-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-9-((R)-1-hydroxyethyl)-23-isobutyl-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine |
| Molecular Formula | C79H112N22O30S6 |
| Molecular Weight | 2042.29 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC3=O)NC1=O |
| InChI Key | ALQPDZQRJKSEQZ-MZBYGZHOSA-N |
| Synonym | L-Tyrosine, L-asparaginyl-L-seryl-L-seryl-L-asparaginyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-α-glutamyl-L-leucyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (6→11),(7→15),(10→18)-tris(disulfide);Asn-Ser-Ser-Asn-Tyr-Cys-Cys-Glu-Leu-Cys-Cys-Asn-Pro-Ala-Cys-Thr-Gly-Cys-Tyr(Disulfide bridge:Cys6-11;Cys10-18);Cys7-15;H-NSSNYCCELCCNPACTGCY-OH;NSSNYCCELCCNPACTGCY (Disulfide bridge:Cys6-11 |
| CAS No. | 118447-40-8 |
Synthetic Route by SureRoute
2. ACWHQN825 Molecular Building Block Synthetic Route
((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine--acetic acid (1/1)
((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-tyrosine
(3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carboxylic acid