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

Systemtic Name: 2-[[2-azanyl-4-[(4-octylphenyl)methylamino]-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-amino-4-[(4-octylphenyl)methylamino]-4-oxo-butanoyl]amino]propanoic acid CAS Name: 2-[[2-amino-4-[(4-octylphenyl)methylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-amino-4-[(4-octylphenyl)methylamino]-4-oxobutanoyl]amino]propanoic acid Traditional Name: 2-[[2-amino-4-keto-4-[(4-octylbenzyl)amino]butanoyl]amino]propionic acid Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CNC(=O)CC(C(=O)NC(C)C(=O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CNC(=O)CC(C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C22H35N3O4/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)15-24-20(26)14-19(23)21(27)25-16(2)22(28)29/h10-13,16,19H,3-9,14-15,23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)