Account (S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid
- Catalog No. :
- ACIUQA238
- CAS No. :
- 2919596-13-5
- Molecular Formula :
- C143H224N26O40S
- Molecular Weight :
- 2979.57
IUPAC Name:(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid
![(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid |
|---|---|
| IUPAC Name | (S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid |
| Molecular Formula | C143H224N26O40S |
| Molecular Weight | 2979.57 |
| SMILES | OC(CN1C2=CC=CC=C2C(C[C@H]3C(N([C@H](C(N([C@H](C(N[C@H](C(N[C@@H](CSCC(N[C@H](C(N([C@H](C(N[C@H](C(N4[C@](CCC4)([H])C(N[C@H](C(N[C@H](C(N5[C@](C[C@H](C5)O)([H])C(N[C@H](C(N[C@H](C(N3)=O)CCN)=O)CC6=CNC7=CC=CC=C67)=O)=O)CC(C)C)=O)CN)=O)=O)CC(N)=O)=O)C)C)=O)CC8=CC=C(C=C8)O)=O)C(NCC(N[C@H](C(O)=O)CC9=CN(N=N9)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(CC[C@@H](C(O)=O)NC(CCCCCCCCCCCCCCCCC(O)=O)=O)=O)=O)=O)=O)CC(C)C)=O)CCCC)C)=O)CCCC)C)=O)=C1)=O |
| InChI Key | IQRNUGWYTJONBD-LJOMSQDUSA-N |
| CAS No. | 2919596-13-5 |
Synthetic Route by SureRoute
2. ACIUQA238 Molecular Building Block Synthetic Route
(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid compound with acetic acid (1:1)
(S)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid compound with 2,2,2-trifluoroacetic acid (1:1)
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