3-[7-(5-azanylpentyl)-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-(5-azanylpentyl)-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-(5-aminopentyl)-1-benzhydryl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-(5-aminopentyl)-1-(diphenylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-benzhydryl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[7-(5-aminopentyl)-1-benzhydryl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid; 2,2,2-trifluoroacetic acid Formula: C32H34F3N3O6 MolecularWeight: 613.62407

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H33N3O4.C2HF3O2/c31-18-9-3-4-10-22-15-16-26-25(20-22)30(37)32(19-17-28(35)36)21-27(34)33(26)29(23-11-5-1-6-12-23)24-13-7-2-8-14-24;3-2(4,5)1(6)7/h1-2,5-8,11-16,20,29H,3-4,9-10,17-19,21,31H2,(H,35,36);(H,6,7)