3-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[ethanoyl-[1-(methanethioylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[ethanoyl-[1-(methanethioylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[acetyl-[1-benzyl-2-(methanethioylamino)-2-oxo-ethyl]amino]-3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[acetyl-[1-(methanethioylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[acetyl-[1-(methanethioylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[acetyl-[1-benzyl-2-keto-2-(thioformylamino)ethyl]amino]-3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C33H40N6O7S MolecularWeight: 664.7717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC=S)C(=O)C)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC=S)C(=O)C)NC(=O)C(CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C33H40N6O7S/c1-19(2)13-26(37-30(43)24(34)15-22-17-35-25-12-8-7-11-23(22)25)31(44)38-27(16-29(41)42)33(46)39(20(3)40)28(32(45)36-18-47)14-21-9-5-4-6-10-21/h4-12,17-19,24,26-28,35H,13-16,34H2,1-3H3,(H,37,43)(H,38,44)(H,41,42)(H,36,45,47)