3-[[1-[(2-azanyl-3-phenyl-propanoyl)amino]-2-phenyl-ethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[[1-[(2-azanyl-3-phenyl-propanoyl)amino]-2-phenyl-ethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[[1-[(2-amino-3-phenyl-propanoyl)amino]-2-phenyl-ethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxo-propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[[1-[(2-amino-1-oxo-3-phenylpropyl)amino]-2-phenylethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[[1-[(2-amino-3-phenylpropanoyl)amino]-2-phenylethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-(1H-indol-3-ylmethyl)-3-keto-3-[[2-phenyl-1-(phenylalanylamino)ethyl]amino]propionic acid; 2,2,2-trifluoroacetic acid Formula: C31H31F3N4O6 MolecularWeight: 612.59625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)C(=O)O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)C(=O)O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C29H30N4O4.C2HF3O2/c30-24(15-19-9-3-1-4-10-19)28(35)33-26(16-20-11-5-2-6-12-20)32-27(34)23(29(36)37)17-21-18-31-25-14-8-7-13-22(21)25;3-2(4,5)1(6)7/h1-14,18,23-24,26,31H,15-17,30H2,(H,32,34)(H,33,35)(H,36,37);(H,6,7)