3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-(5-guanidinopentyl)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-(5-guanidinopentyl)-2,5-diketo-1-[4-(trifluoromethyl)benzyl]-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C26H30F3N5O4 MolecularWeight: 533.54271

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN=C(N)N)C(=O)N1CCC(=O)O)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN=C(N)N)C(=O)N1CCC(=O)O)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C26H30F3N5O4/c27-26(28,29)19-8-5-18(6-9-19)15-34-21-10-7-17(4-2-1-3-12-32-25(30)31)14-20(21)24(38)33(16-22(34)35)13-11-23(36)37/h5-10,14H,1-4,11-13,15-16H2,(H,36,37)(H4,30,31,32)