(2R)-2-[[2-azanyl-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: (2R)-2-[[2-azanyl-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: (2R)-2-[[2-amino-4-[(4-cyanophenyl)methylamino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[2-amino-4-[(4-cyanophenyl)methylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: (2R)-2-[[2-amino-4-[(4-cyanophenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[2-amino-4-[(4-cyanobenzyl)amino]-4-keto-butanoyl]amino]propionic acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC(=O)NCC1=CC=C(C=C1)C#N)N

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)C(CC(=O)NCC1=CC=C(C=C1)C#N)N

InChI

InChI=1S/C15H18N4O4/c1-9(15(22)23)19-14(21)12(17)6-13(20)18-8-11-4-2-10(7-16)3-5-11/h2-5,9,12H,6,8,17H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t9-,12?/m1/s1