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2,2'-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37R)-37-amino-34-((S)-sec-butyl)-4-carboxy-22-(2-carboxyethyl)-16,31-bis((R)-1-hydroxyethyl)-10-(hydroxymethyl)-19,38,38-trimethyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-13,28-diyl)diacetic acid
- Catalog No. :
- ACBGBL651
- CAS No. :
- 344611-99-0
- Molecular Formula :
- C45H72N12O22S2
- Molecular Weight :
- 1196.43
IUPAC Name:2,2'-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37R)-37-amino-34-((S)-sec-butyl)-4-carboxy-22-(2-carboxyethyl)-16,31-bis((R)-1-hydroxyethyl)-10-(hydroxymethyl)-19,38,38-trimethyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-13,28-diyl)diacetic acid
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Product Information
| Product Name | 2,2'-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37R)-37-amino-34-((S)-sec-butyl)-4-carboxy-22-(2-carboxyethyl)-16,31-bis((R)-1-hydroxyethyl)-10-(hydroxymethyl)-19,38,38-trimethyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-13,28-diyl)diacetic acid |
|---|---|
| IUPAC Name | 2,2'-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37R)-37-amino-34-((S)-sec-butyl)-4-carboxy-22-(2-carboxyethyl)-16,31-bis((R)-1-hydroxyethyl)-10-(hydroxymethyl)-19,38,38-trimethyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-13,28-diyl)diacetic acid |
| Molecular Formula | C45H72N12O22S2 |
| Molecular Weight | 1196.43 |
| SMILES | CC[C@@H]([C@@]1([H])C(N[C@@](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@@](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CSSC(C)([C@@H](C(N1)=O)N)C)C(O)=O)=O)=O)CO)=O)CC(O)=O)=O)([H])[C@H](O)C)=O)C)=O)CCC(O)=O)=O)=O)CC(O)=O)=O)([H])[C@H](O)C)=O)C |
| InChI Key | RNJRLNAFZZTPJM-QMUSQRDESA-N |
| CAS No. | 344611-99-0 |
(S)-5-(((1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-amino-2-oxoethyl)-38-(((S)-1-carboxy-3-methylbutyl)carbamoyl)-22-(2-carboxyethyl)-32-((R)-1-hydroxyethyl)-19-isobutyl-7,13-diisopropyl-4-methyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracontan-25-yl)amino)-4-((S)-3-carboxy-2-((S)-2,4-diamino-4-oxobutanamido)propanamido)-5-oxopentanoic acid--acetic acid (1/1)
(S)-5-(((1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-10-(2-Amino-2-oxoethyl)-38-(((S)-1-carboxy-3-methylbutyl)carbamoyl)-22-(2-carboxyethyl)-32-((R)-1-hydroxyethyl)-19-isobutyl-7,13-diisopropyl-4-methyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracontan-25-yl)amino)-4-((S)-3-carboxy-2-((S)-2,4-diamino-4-oxobutanamido)propanamido)-5-oxopentanoic acid