6-azanyl-2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[(4-methoxyphenyl)azo-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=NC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N=NC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C23H29N5O5/c1-33-18-12-10-17(11-13-18)27-28-23(32)26-20(15-16-7-3-2-4-8-16)21(29)25-19(22(30)31)9-5-6-14-24/h2-4,7-8,10-13,19-20H,5-6,9,14-15,24H2,1H3,(H,25,29)(H,26,32)(H,30,31)