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

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[7-(5-guanidinopentyl)-1-isopropyl-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-(diaminomethylideneamino)pentyl]-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[7-(5-guanidinopentyl)-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid; 2,2,2-trifluoroacetic acid Formula: C35H40F3N5O6 MolecularWeight: 683.71721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)CCCCCN=C(N)N)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

CC(C)N1C2=C(C=C(C=C2)CCCCCN=C(N)N)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/C33H39N5O4.C2HF3O2/c1-22(2)37-27-18-17-23(12-6-5-11-19-36-33(34)35)20-26(27)31(41)38(30(32(37)42)25-15-9-4-10-16-25)28(21-29(39)40)24-13-7-3-8-14-24;3-2(4,5)1(6)7/h3-4,7-10,13-18,20,22,28,30H,5-6,11-12,19,21H2,1-2H3,(H,39,40)(H4,34,35,36);(H,6,7)