3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-pentanoyl]amino]-7-naphthalen-1-yl-4-oxidanylidene-heptanoic acid

Systemtic Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-pentanoyl]amino]-7-naphthalen-1-yl-4-oxidanylidene-heptanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-pentanoyl]amino]-7-(1-naphthyl)-4-oxo-heptanoic acid CAS Name: 3-[[2-[[2-[[2-acetamido-3-(methylthio)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-7-(1-naphthalenyl)-4-oxoheptanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanylpropanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-7-naphthalen-1-yl-4-oxoheptanoic acid Traditional Name: 3-[[2-[2-[[2-acetamido-3-(methylthio)propanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]-4-keto-7-(1-naphthyl)enanthic acid Formula: C32H44N4O7S MolecularWeight: 628.77936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(CSC)NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)CCCC1=CC=CC2=CC=CC=C21)NC(=O)C(C)NC(=O)C(CSC)NC(=O)C

InChI

InChI=1S/C32H44N4O7S/c1-6-19(2)29(36-30(41)20(3)33-31(42)26(18-44-5)34-21(4)37)32(43)35-25(17-28(39)40)27(38)16-10-14-23-13-9-12-22-11-7-8-15-24(22)23/h7-9,11-13,15,19-20,25-26,29H,6,10,14,16-18H2,1-5H3,(H,33,42)(H,34,37)(H,35,43)(H,36,41)(H,39,40)