2-[2-azanylethanoyl-(6-azanyl-1-oxidanylidene-hexan-2-yl)amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[2-azanylethanoyl-(6-azanyl-1-oxidanylidene-hexan-2-yl)amino]-4-phenyl-butanoic acid Openeye Name: 2-[(2-aminoacetyl)-(5-amino-1-formyl-pentyl)amino]-4-phenyl-butanoic acid CAS Name: 2-[(2-amino-1-oxoethyl)-(6-amino-1-oxohexan-2-yl)amino]-4-phenylbutanoic acid IUPAC Name: 2-[(2-aminoacetyl)-(6-amino-1-oxohexan-2-yl)amino]-4-phenylbutanoic acid Traditional Name: 2-[(5-amino-1-formyl-pentyl)-glycyl-amino]-4-phenyl-butyric acid Formula: C18H27N3O4 MolecularWeight: 349.42468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)N(C(CCCCN)C=O)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)N(C(CCCCN)C=O)C(=O)CN

InChI

InChI=1S/C18H27N3O4/c19-11-5-4-8-15(13-22)21(17(23)12-20)16(18(24)25)10-9-14-6-2-1-3-7-14/h1-3,6-7,13,15-16H,4-5,8-12,19-20H2,(H,24,25)