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

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[7-(5-guanidinopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[7-(5-guanidinopentyl)-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]propionic acid; 2,2,2-trifluoroacetic acid Formula: C29H35F3N6O8 MolecularWeight: 652.61881

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)CCCCCN=C(N)N)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)CCCCCN=C(N)N)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C27H34N6O6.C2HF3O2/c1-32-22-12-11-18(8-6-3-7-13-30-26(28)29)14-20(22)24(35)33(16-23(32)34)15-21(25(36)37)31-27(38)39-17-19-9-4-2-5-10-19;3-2(4,5)1(6)7/h2,4-5,9-12,14,21H,3,6-8,13,15-17H2,1H3,(H,31,38)(H,36,37)(H4,28,29,30);(H,6,7)