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

Systemtic Name: 3-[7-[4-[bis(azanyl)methylideneamino]butyl]-1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[1-benzhydryl-7-(4-guanidinobutyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-[4-(diaminomethylideneamino)butyl]-1-(diphenylmethyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[1-benzhydryl-7-[4-(diaminomethylideneamino)butyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[1-benzhydryl-7-(4-guanidinobutyl)-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid; 2,2,2-trifluoroacetic acid Formula: C32H34F3N5O6 MolecularWeight: 641.63747

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCN=C(N)N)C(=O)N1CCC(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCN=C(N)N)C(=O)N1CCC(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H33N5O4.C2HF3O2/c31-30(32)33-17-8-7-9-21-14-15-25-24(19-21)29(39)34(18-16-27(37)38)20-26(36)35(25)28(22-10-3-1-4-11-22)23-12-5-2-6-13-23;3-2(4,5)1(6)7/h1-6,10-15,19,28H,7-9,16-18,20H2,(H,37,38)(H4,31,32,33);(H,6,7)