2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-6-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide

Systemtic Name: 2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-6-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide Openeye Name: 2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-6-amino-N-(4-methyl-2-oxo-chromen-7-yl)hexanamide CAS Name: 2-[[2-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-6-amino-N-(4-methyl-2-oxo-1-benzopyran-7-yl)hexanamide IUPAC Name: 2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-6-amino-N-(4-methyl-2-oxochromen-7-yl)hexanamide Traditional Name: 2-[[2-[(2-acetamido-3-phenyl-propanoyl)amino]-4-(methylthio)butanoyl]amino]-6-amino-N-(2-keto-4-methyl-chromen-7-yl)hexanamide Formula: C32H41N5O6S MolecularWeight: 623.76284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C32H41N5O6S/c1-20-17-29(39)43-28-19-23(12-13-24(20)28)35-30(40)25(11-7-8-15-33)36-31(41)26(14-16-44-3)37-32(42)27(34-21(2)38)18-22-9-5-4-6-10-22/h4-6,9-10,12-13,17,19,25-27H,7-8,11,14-16,18,33H2,1-3H3,(H,34,38)(H,35,40)(H,36,41)(H,37,42)