3-[2-[3-(phenethylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[3-(phenethylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(phenethylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-3-[[oxo-(phenethylamino)methyl]amino]propyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(phenethylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(phenethylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C29H32N4O5 MolecularWeight: 516.58818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H32N4O5/c34-26(16-18-31-29(38)30-17-15-21-7-3-1-4-8-21)32-20-27(35)33-25(19-28(36)37)24-13-11-23(12-14-24)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,32,34)(H,33,35)(H,36,37)(H2,30,31,38)