3-[2-[5-[(4-methoxyphenyl)carbamoylamino]pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[5-[(4-methoxyphenyl)carbamoylamino]pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[5-[(4-methoxyphenyl)carbamoylamino]pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[5-[[(4-methoxyanilino)-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[5-[(4-methoxyphenyl)carbamoylamino]pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[5-[(4-methoxyphenyl)carbamoylamino]pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C30H34N4O6 MolecularWeight: 546.61416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C30H34N4O6/c1-40-25-16-14-24(15-17-25)33-30(39)31-18-6-5-9-27(35)32-20-28(36)34-26(19-29(37)38)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-4,7-8,10-17,26H,5-6,9,18-20H2,1H3,(H,32,35)(H,34,36)(H,37,38)(H2,31,33,39)