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

Systemtic Name: 3-[7-[5-[bis(azanyl)methylideneamino]pentyl]-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid Openeye Name: 3-[7-(5-guanidinopentyl)-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid CAS Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid IUPAC Name: 3-[7-[5-(diaminomethylideneamino)pentyl]-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid Traditional Name: 3-[7-(5-guanidinopentyl)-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]butyric acid Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CN(C(=O)C2=C1C=CC(=C2)CCCCCN=C(N)N)C(C)CC(=O)O

Isomeric SMILES

CC(C)N1C(=O)CN(C(=O)C2=C1C=CC(=C2)CCCCCN=C(N)N)C(C)CC(=O)O

InChI

InChI=1S/C22H33N5O4/c1-14(2)27-18-9-8-16(7-5-4-6-10-25-22(23)24)12-17(18)21(31)26(13-19(27)28)15(3)11-20(29)30/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3,(H,29,30)(H4,23,24,25)