(3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-[(2S)-2-methanoylpyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-[(2S)-2-methanoylpyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-4-[(2S)-2-formylpyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-[(2S)-2-formyl-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-[(2S)-2-formylpyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-4-[(2S)-2-formylpyrrolidino]-4-keto-butyric acid Formula: C35H49N7O8S MolecularWeight: 727.87066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)N1CCCC1C=O)NC(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C35H49N7O8S/c1-20(2)30(33(48)39-27(17-29(44)45)34(49)41-13-6-8-22(41)19-43)40-32(47)28-11-7-14-42(28)35(50)26(38-31(46)24(36)12-15-51-3)16-21-18-37-25-10-5-4-9-23(21)25/h4-5,9-10,18-20,22,24,26-28,30,37H,6-8,11-17,36H2,1-3H3,(H,38,46)(H,39,48)(H,40,47)(H,44,45)/t22-,24-,26-,27-,28-,30-/m0/s1