(2S)-2-[2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[[oxo-(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]amino]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[(3-keto-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H20N4O5/c25-17(23-15(19(27)28)10-13-6-2-1-3-7-13)11-21-20(29)24-12-18(26)22-14-8-4-5-9-16(14)24/h1-9,15H,10-12H2,(H,21,29)(H,22,26)(H,23,25)(H,27,28)/t15-/m0/s1