CAS 138863-63-5 is the registry number for Vasoactive intestinal contractor. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3S)-3-[[(2S)-2-[[(2S)-2-[[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecahydroxy-22-(2-hydroxy-2-iminoethyl)-19,28-bis(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-(2-methylpropyl)-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaen-36-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-4-[(2S,3S)-1-[(2S,3S)-1-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-4-hydroxybutanoic acid (CAS 138863-63-5) is a chemical compound with the molecular formula C116H161N27O32S4 and a molecular weight of 2573.9 g/mol. IUPAC name: (3S)-3-[[(2S)-2-[[(2S)-2-[[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecahydroxy-22-(2-hydroxy-2-iminoethyl)-19,28-bis(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-(2-methylpropyl)-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaen-36-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-4-[(2S,3S)-1-[(2S,3S)-1-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-4-hydroxybutanoic acid. InChIKey: SNFRCIMVSJSLQM-UFVULHCBSA-N.
| Molecular formula | C116H161N27O32S4 |
|---|---|
| Molecular weight | 2573.9 g/mol |
| IUPAC name | (3S)-3-[[(2S)-2-[[(2S)-2-[[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecahydroxy-22-(2-hydroxy-2-iminoethyl)-19,28-bis(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-(2-methylpropyl)-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentaconta-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecaen-36-yl]-hydroxymethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-4-[(2S,3S)-1-[(2S,3S)-1-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-4-hydroxybutanoic acid |
| InChIKey | SNFRCIMVSJSLQM-UFVULHCBSA-N |
| SMILES | CC[C@H](C)[C@@H](C(=N[C@@H]([C@@H](C)CC)C(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)O)O)N=C([C@H](CC(=O)O)N=C([C@H](CC(C)C)N=C([C@H](CC3=CN=CN3)N=C([C@@H]4CSSC[C@@H](C(=N[C@H](C(=N[C@H]5CSSC[C@@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N4)O)CC6=CC=CC=C6)O)CC7=CC=C(C=C7)O)O)C(C)C)O)N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C5O)CC(=N)O)O)CO)O)CC8=CNC9=CC=CC=C98)O)CC(C)C)O)CC(=O)O)O)CCCCN)O)CCC(=O)O)O)O)CO)O)N)O)O)O)O |
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