2-[2-[[3-methyl-2-[(4-methylsulfanylphenyl)carbonylamino]butanoyl]amino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[3-methyl-2-[(4-methylsulfanylphenyl)carbonylamino]butanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[3-methyl-2-[[[4-(methylthio)phenyl]-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[3-methyl-2-[(4-methylsulfanylbenzoyl)amino]butanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[3-methyl-2-[[4-(methylthio)benzoyl]amino]butanoyl]amino]propanoylamino]succinic acid Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C20H27N3O7S/c1-10(2)16(23-18(27)12-5-7-13(31-4)8-6-12)19(28)21-11(3)17(26)22-14(20(29)30)9-15(24)25/h5-8,10-11,14,16H,9H2,1-4H3,(H,21,28)(H,22,26)(H,23,27)(H,24,25)(H,29,30)