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

Systemtic Name: 3-[[1-[2-[(4-methoxy-3-methyl-phenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-methoxy-3-methyl-benzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-methoxy-3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-methoxy-3-methylbenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[2-[(4-methoxy-3-methyl-benzoyl)amino]propanoyl]prolyl]amino]butyric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7/c1-12-9-14(6-7-17(12)31-3)19(28)22-13(2)21(30)24-8-4-5-16(24)20(29)23-15(11-25)10-18(26)27/h6-7,9,11,13,15-16H,4-5,8,10H2,1-3H3,(H,22,28)(H,23,29)(H,26,27)