3-[7-(5-azanylpentyl)-1-methyl-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[7-(5-azanylpentyl)-1-methyl-2,5-bis(oxidanylidene)-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-methyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-methyl-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid; 2,2,2-trifluoroacetic acid Formula: C32H34F3N3O6 MolecularWeight: 613.62407

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCCN)C(=O)N(C(C1=O)C3=CC=CC=C3)C(CC(=O)O)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCCN)C(=O)N(C(C1=O)C3=CC=CC=C3)C(CC(=O)O)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H33N3O4.C2HF3O2/c1-32-25-17-16-21(11-5-4-10-18-31)19-24(25)29(36)33(28(30(32)37)23-14-8-3-9-15-23)26(20-27(34)35)22-12-6-2-7-13-22;3-2(4,5)1(6)7/h2-3,6-9,12-17,19,26,28H,4-5,10-11,18,20,31H2,1H3,(H,34,35);(H,6,7)