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

Systemtic Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-butanoyl]amino]-7-naphthalen-1-yl-4-oxidanylidene-heptanoic acid Openeye Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanyl-propanoyl)amino]propanoylamino]-3-methyl-butanoyl]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-oxobutyl]amino]-7-(1-naphthalenyl)-4-oxoheptanoic acid IUPAC Name: 3-[[2-[2-[(2-acetamido-3-methylsulfanylpropanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-7-naphthalen-1-yl-4-oxoheptanoic acid Traditional Name: 3-[[2-[2-[[2-acetamido-3-(methylthio)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-keto-7-(1-naphthyl)enanthic acid Formula: C31H42N4O7S MolecularWeight: 614.75278

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C31H42N4O7S/c1-18(2)28(35-29(40)19(3)32-30(41)25(17-43-5)33-20(4)36)31(42)34-24(16-27(38)39)26(37)15-9-13-22-12-8-11-21-10-6-7-14-23(21)22/h6-8,10-12,14,18-19,24-25,28H,9,13,15-17H2,1-5H3,(H,32,41)(H,33,36)(H,34,42)(H,35,40)(H,38,39)