methyl (2S)-2-[(3-methyl-2-oxidanylidene-quinoxalin-1-yl)methylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3-methyl-2-oxidanylidene-quinoxalin-1-yl)methylcarbamoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3-methyl-2-oxo-quinoxalin-1-yl)methylcarbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(3-methyl-2-oxo-1-quinoxalinyl)methylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-methyl-2-oxoquinoxalin-1-yl)methylcarbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-keto-3-methyl-quinoxalin-1-yl)methylcarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N(C1=O)CNC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N(C1=O)CNC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-14-19(26)25(18-11-7-6-10-16(18)23-14)13-22-21(28)24-17(20(27)29-2)12-15-8-4-3-5-9-15/h3-11,17H,12-13H2,1-2H3,(H2,22,24,28)/t17-/m0/s1