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

Systemtic Name: 3-[[1-[2-[(3-cyanophenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(3-cyanobenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(3-cyanophenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(3-cyanobenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[(3-cyanobenzoyl)amino]propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H22N4O6/c1-12(22-18(28)14-5-2-4-13(8-14)10-21)20(30)24-7-3-6-16(24)19(29)23-15(11-25)9-17(26)27/h2,4-5,8,11-12,15-16H,3,6-7,9H2,1H3,(H,22,28)(H,23,29)(H,26,27)