3-[7-(6-azanylhexyl)-1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[7-(6-azanylhexyl)-1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[7-(6-aminohexyl)-1-benzhydryl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-(6-aminohexyl)-1-(diphenylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-(6-aminohexyl)-1-benzhydryl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[7-(6-aminohexyl)-1-benzhydryl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid; 2,2,2-trifluoroacetic acid Formula: C33H36F3N3O6 MolecularWeight: 627.65065

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCCN)C(=O)N1CCC(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCCN)C(=O)N1CCC(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H35N3O4.C2HF3O2/c32-19-10-2-1-5-11-23-16-17-27-26(21-23)31(38)33(20-18-29(36)37)22-28(35)34(27)30(24-12-6-3-7-13-24)25-14-8-4-9-15-25;3-2(4,5)1(6)7/h3-4,6-9,12-17,21,30H,1-2,5,10-11,18-20,22,32H2,(H,36,37);(H,6,7)