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

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[1-benzyl-7-(5-guanidinopentyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[1-benzyl-7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[1-benzyl-7-(5-guanidinopentyl)-2,5-diketo-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN=C(N)N)CC3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)O)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCN=C(N)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H33N5O4/c1-18(14-24(33)34)30-17-23(32)31(16-20-9-4-2-5-10-20)22-12-11-19(15-21(22)25(30)35)8-6-3-7-13-29-26(27)28/h2,4-5,9-12,15,18H,3,6-8,13-14,16-17H2,1H3,(H,33,34)(H4,27,28,29)