(2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (2R)-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (2R)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-(glycylamino)-3-(4-hydroxyphenyl)propanoyl]prolyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid; 2,2,2-trifluoroacetic acid Formula: C38H41F3N6O9 MolecularWeight: 782.76215

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)CN)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=C(C=C2)O)NC(=O)CN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C36H40N6O7.C2HF3O2/c37-20-32(44)39-29(17-23-12-14-25(43)15-13-23)35(47)42-16-6-11-31(42)34(46)40-28(19-24-21-38-27-10-5-4-9-26(24)27)33(45)41-30(36(48)49)18-22-7-2-1-3-8-22;3-2(4,5)1(6)7/h1-5,7-10,12-15,21,28-31,38,43H,6,11,16-20,37H2,(H,39,44)(H,40,46)(H,41,45)(H,48,49);(H,6,7)/t28-,29+,30+,31-;/m0./s1