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

Systemtic Name: 2-[[2-azanyl-4-[(4-chlorophenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-amino-4-[(4-chlorophenyl)methylamino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[2-amino-4-[(4-chlorophenyl)methylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-amino-4-[(4-chlorophenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: 2-[[2-amino-4-[(4-chlorobenzyl)amino]-4-keto-butanoyl]amino]propionic acid Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O4/c1-8(14(21)22)18-13(20)11(16)6-12(19)17-7-9-2-4-10(15)5-3-9/h2-5,8,11H,6-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)