3-(1-acetamido-2-ethyl-butyl)-4-azanyl-2-[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]hexylcarbamoyloxy]cyclopentane-1-carboxylic acid

Systemtic Name: 3-(1-acetamido-2-ethyl-butyl)-4-azanyl-2-[6-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]hexylcarbamoyloxy]cyclopentane-1-carboxylic acid Openeye Name: 3-(1-acetamido-2-ethyl-butyl)-4-amino-2-[6-[(4-hydroxy-4-oxo-butanoyl)amino]hexylcarbamoyloxy]cyclopentanecarboxylic acid CAS Name: 3-(1-acetamido-2-ethylbutyl)-4-amino-2-[[6-[(4-hydroxy-1,4-dioxobutyl)amino]hexylamino]-oxomethoxy]-1-cyclopentanecarboxylic acid IUPAC Name: 3-(1-acetamido-2-ethylbutyl)-4-amino-2-[6-[(4-hydroxy-4-oxobutanoyl)amino]hexylcarbamoyloxy]cyclopentane-1-carboxylic acid Traditional Name: 3-(1-acetamido-2-ethyl-butyl)-4-amino-2-[6-[(4-hydroxy-4-keto-butanoyl)amino]hexylcarbamoyloxy]cyclopentanecarboxylic acid Formula: C25H44N4O8 MolecularWeight: 528.63886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C(CC(C1OC(=O)NCCCCCCNC(=O)CCC(=O)O)C(=O)O)N)NC(=O)C

Isomeric SMILES

CCC(CC)C(C1C(CC(C1OC(=O)NCCCCCCNC(=O)CCC(=O)O)C(=O)O)N)NC(=O)C

InChI

InChI=1S/C25H44N4O8/c1-4-16(5-2)22(29-15(3)30)21-18(26)14-17(24(34)35)23(21)37-25(36)28-13-9-7-6-8-12-27-19(31)10-11-20(32)33/h16-18,21-23H,4-14,26H2,1-3H3,(H,27,31)(H,28,36)(H,29,30)(H,32,33)(H,34,35)