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

Systemtic Name: 3-[2-[5-(tert-butylcarbamoylamino)pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[5-(tert-butylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[5-[[(tert-butylamino)-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[5-(tert-butylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[5-(tert-butylcarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O5/c1-27(2,3)31-26(36)28-16-8-7-11-23(32)29-18-24(33)30-22(17-25(34)35)21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-6,9-10,12-15,22H,7-8,11,16-18H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)(H2,28,31,36)