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

Systemtic Name: 3-[2-[3-(tert-butylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(tert-butylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[3-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(tert-butylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(tert-butylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O5/c1-25(2,3)29-24(34)26-14-13-21(30)27-16-22(31)28-20(15-23(32)33)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,20H,13-16H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)(H2,26,29,34)