3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3,4-dihydro-1,2-benzodiazepin-2-ium-4-yl]propanoic acid

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-1-(diphenylmethyl)-2,5-bis(oxidanylidene)-3,4-dihydro-1,2-benzodiazepin-2-ium-4-yl]propanoic acid Openeye Name: 3-[1-benzhydryl-7-(5-guanidinopentyl)-2,5-dioxo-3,4-dihydro-1,2-benzodiazepin-2-ium-4-yl]propanoic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-1-(diphenylmethyl)-2,5-dioxo-3,4-dihydro-1,2-benzodiazepin-2-ium-4-yl]propanoic acid IUPAC Name: 3-[1-benzhydryl-7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-3,4-dihydro-1,2-benzodiazepin-2-ium-4-yl]propanoic acid Traditional Name: 3-[1-benzhydryl-7-(5-guanidinopentyl)-2,5-diketo-3,4-dihydro-1,2-benzodiazepin-2-ium-4-yl]propionic acid Formula: C31H36N5O4+ MolecularWeight: 542.64864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(C=CC(=C2)CCCCCN=C(N)N)N([N+]1=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1C(C(=O)C2=C(C=CC(=C2)CCCCCN=C(N)N)N([N+]1=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C31H35N5O4/c32-31(33)34-19-9-3-4-10-22-15-17-27-26(20-22)30(39)25(16-18-28(37)38)21-35(40)36(27)29(23-11-5-1-6-12-23)24-13-7-2-8-14-24/h1-2,5-8,11-15,17,20,25,29H,3-4,9-10,16,18-19,21H2,(H4-,32,33,34,37,38)/p+1