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

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[1-benzyl-7-(5-guanidinopentyl)-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[1-benzyl-7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[1-benzyl-7-(5-guanidinopentyl)-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl]butyric acid; 2,2,2-trifluoroacetic acid Formula: C34H38F3N5O6 MolecularWeight: 669.69063

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN=C(N)N)CC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(CC(=O)O)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN=C(N)N)CC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C32H37N5O4.C2HF3O2/c1-22(19-28(38)39)37-29(25-14-8-3-9-15-25)31(41)36(21-24-12-5-2-6-13-24)27-17-16-23(20-26(27)30(37)40)11-7-4-10-18-35-32(33)34;3-2(4,5)1(6)7/h2-3,5-6,8-9,12-17,20,22,29H,4,7,10-11,18-19,21H2,1H3,(H,38,39)(H4,33,34,35);(H,6,7)