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

Systemtic Name: 3-[2-[5-(phenethylcarbamoylamino)pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[5-(phenethylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-5-[[oxo-(phenethylamino)methyl]amino]pentyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[5-(phenethylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[5-(phenethylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C31H36N4O5 MolecularWeight: 544.64134

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H36N4O5/c36-28(13-7-8-19-32-31(40)33-20-18-23-9-3-1-4-10-23)34-22-29(37)35-27(21-30(38)39)26-16-14-25(15-17-26)24-11-5-2-6-12-24/h1-6,9-12,14-17,27H,7-8,13,18-22H2,(H,34,36)(H,35,37)(H,38,39)(H2,32,33,40)