3-[(6-chloranylpyridin-3-yl)carbamoylamino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(6-chloranylpyridin-3-yl)carbamoylamino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[(6-chloro-3-pyridyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 3-[[[(6-chloro-3-pyridinyl)amino]-oxomethyl]amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(6-chloropyridin-3-yl)carbamoylamino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-3-[(6-chloro-3-pyridyl)carbamoylamino]-4-keto-butyric acid Formula: C20H21ClN4O6 MolecularWeight: 448.85694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CN=C(C=C2)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CN=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN4O6/c1-31-19(29)15(9-12-5-3-2-4-6-12)24-18(28)14(10-17(26)27)25-20(30)23-13-7-8-16(21)22-11-13/h2-8,11,14-15H,9-10H2,1H3,(H,24,28)(H,26,27)(H2,23,25,30)