methyl 2-[[2-[5-azanyl-1-[[4-(oxidanylamino)-4-oxidanylidene-butanoyl]amino]pentyl]-1-(phenylmethyl)benzimidazol-5-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[2-[5-azanyl-1-[[4-(oxidanylamino)-4-oxidanylidene-butanoyl]amino]pentyl]-1-(phenylmethyl)benzimidazol-5-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[2-[5-amino-1-[[4-(hydroxyamino)-4-oxo-butanoyl]amino]pentyl]-1-benzyl-benzimidazole-5-carbonyl]amino]acetate CAS Name: 2-[[[2-[5-amino-1-[[4-(hydroxyamino)-1,4-dioxobutyl]amino]pentyl]-1-(phenylmethyl)-5-benzimidazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[5-amino-1-[[4-(hydroxyamino)-4-oxobutanoyl]amino]pentyl]-1-benzylbenzimidazole-5-carbonyl]amino]acetate Traditional Name: 2-[[2-[5-amino-1-[[4-(hydroxyamino)-4-keto-butanoyl]amino]pentyl]-1-benzyl-benzimidazole-5-carbonyl]amino]acetic acid methyl ester Formula: C27H34N6O6 MolecularWeight: 538.59546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C(CCCCN)NC(=O)CCC(=O)NO)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C(CCCCN)NC(=O)CCC(=O)NO)CC3=CC=CC=C3

InChI

InChI=1S/C27H34N6O6/c1-39-25(36)16-29-27(37)19-10-11-22-21(15-19)31-26(33(22)17-18-7-3-2-4-8-18)20(9-5-6-14-28)30-23(34)12-13-24(35)32-38/h2-4,7-8,10-11,15,20,38H,5-6,9,12-14,16-17,28H2,1H3,(H,29,37)(H,30,34)(H,32,35)