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

Systemtic Name: 2-[[2-azanyl-4-[(4-butylphenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-amino-4-[(4-butylphenyl)methylamino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[2-amino-4-[(4-butylphenyl)methylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-amino-4-[(4-butylphenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: 2-[[2-amino-4-[(4-butylbenzyl)amino]-4-keto-butanoyl]amino]propionic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNC(=O)CC(C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CNC(=O)CC(C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C18H27N3O4/c1-3-4-5-13-6-8-14(9-7-13)11-20-16(22)10-15(19)17(23)21-12(2)18(24)25/h6-9,12,15H,3-5,10-11,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)