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

Systemtic Name: 3-[[1-[2-[(4-acetamidophenyl)carbonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-[(4-acetamidobenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[(4-acetamidophenyl)-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-[(4-acetamidobenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-[(4-acetamidobenzoyl)amino]propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C21H26N4O7 MolecularWeight: 446.45374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O7/c1-12(22-19(30)14-5-7-15(8-6-14)23-13(2)27)21(32)25-9-3-4-17(25)20(31)24-16(11-26)10-18(28)29/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3,(H,22,30)(H,23,27)(H,24,31)(H,28,29)