(2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]pentanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-5-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-oxo-pentanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (2S)-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-5-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-5-keto-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]valeric acid; 2,2,2-trifluoroacetic acid Formula: C36H34F3N5O9 MolecularWeight: 737.67847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NC(CC4=CC=CC=C4)C(=O)O)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H33N5O7.C2HF3O2/c1-3-17-39(20-23-9-14-27-26(18-23)32(42)36-21(2)35-27)25-12-10-24(11-13-25)31(41)38-28(33(43)44)15-16-30(40)37-29(34(45)46)19-22-7-5-4-6-8-22;3-2(4,5)1(6)7/h1,4-14,18,28-29H,15-17,19-20H2,2H3,(H,37,40)(H,38,41)(H,43,44)(H,45,46)(H,35,36,42);(H,6,7)/t28-,29?;/m0./s1