3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid

Systemtic Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-4-oxo-7-phenyl-heptanoic acid CAS Name: 3-[[2-[[2-[[2-acetamido-3-(methylthio)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxo-7-phenylheptanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanylpropanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-oxo-7-phenylheptanoic acid Traditional Name: 3-[[2-[2-[[2-acetamido-3-(methylthio)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-7-phenyl-enanthic acid Formula: C27H40N4O7S MolecularWeight: 564.6941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CSC)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CSC)NC(=O)C

InChI

InChI=1S/C27H40N4O7S/c1-16(2)24(31-25(36)17(3)28-26(37)21(15-39-5)29-18(4)32)27(38)30-20(14-23(34)35)22(33)13-9-12-19-10-7-6-8-11-19/h6-8,10-11,16-17,20-21,24H,9,12-15H2,1-5H3,(H,28,37)(H,29,32)(H,30,38)(H,31,36)(H,34,35)