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

Systemtic Name: 3-[2-[5-(cyclohexylcarbamoylamino)pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[5-(cyclohexylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[5-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[5-(cyclohexylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[5-(cyclohexylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C29H38N4O5 MolecularWeight: 522.63582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H38N4O5/c34-26(13-7-8-18-30-29(38)32-24-11-5-2-6-12-24)31-20-27(35)33-25(19-28(36)37)23-16-14-22(15-17-23)21-9-3-1-4-10-21/h1,3-4,9-10,14-17,24-25H,2,5-8,11-13,18-20H2,(H,31,34)(H,33,35)(H,36,37)(H2,30,32,38)