3-[[1-[2-[(4-azanyl-3-methyl-phenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-[(4-azanyl-3-methyl-phenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-amino-3-methyl-benzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-amino-3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-amino-3-methylbenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[(4-amino-3-methyl-benzoyl)amino]propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C=O)N

InChI

InChI=1S/C20H26N4O6/c1-11-8-13(5-6-15(11)21)18(28)22-12(2)20(30)24-7-3-4-16(24)19(29)23-14(10-25)9-17(26)27/h5-6,8,10,12,14,16H,3-4,7,9,21H2,1-2H3,(H,22,28)(H,23,29)(H,26,27)