4-azanyl-2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-4-oxo-2-[[5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 4-amino-2-[[[1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[(5-keto-1-tosyl-prolyl)amino]butyric acid Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C16H19N3O7S/c1-9-2-4-10(5-3-9)27(25,26)19-12(6-7-14(19)21)15(22)18-11(16(23)24)8-13(17)20/h2-5,11-12H,6-8H2,1H3,(H2,17,20)(H,18,22)(H,23,24)