3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-(5-guanidinopentyl)-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-(5-guanidinopentyl)-2,5-diketo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C31H35N5O4 MolecularWeight: 541.6407

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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)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H35N5O4/c1-21(19-27(37)38)35-28(23-12-6-2-7-13-23)30(40)36(24-14-8-3-9-15-24)26-17-16-22(20-25(26)29(35)39)11-5-4-10-18-34-31(32)33/h2-3,6-9,12-17,20-21,28H,4-5,10-11,18-19H2,1H3,(H,37,38)(H4,32,33,34)