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

Systemtic Name: 3-[2-[3-(cyclohexylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(cyclohexylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[3-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(cyclohexylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(cyclohexylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O5/c32-24(15-16-28-27(36)30-22-9-5-2-6-10-22)29-18-25(33)31-23(17-26(34)35)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2,(H,29,32)(H,31,33)(H,34,35)(H2,28,30,36)