1-[(1S)-1-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylcyclohexyl]carbamoylamino]-2-(3,3-dimethyl-2-oxidanylidene-butyl)-6,6-dimethyl-4-oxidanylidene-heptanoyl]amino]-2-[[(2S)-4,4-dimethyl-1-oxidanyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[(1S)-1-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylcyclohexyl]carbamoylamino]-2-(3,3-dimethyl-2-oxidanylidene-butyl)-6,6-dimethyl-4-oxidanylidene-heptanoyl]amino]-2-[[(2S)-4,4-dimethyl-1-oxidanyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[(1S)-1-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylcyclohexyl]carbamoylamino]-2-(3,3-dimethyl-2-oxo-butyl)-6,6-dimethyl-4-oxo-heptanoyl]amino]-2-[[(1S)-1-(hydroxymethyl)-3,3-dimethyl-butyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic acid CAS Name: 1-[(1S)-1-[[(2R,5S)-5-[[[[(2S,6R)-2,6-dimethylcyclohexyl]amino]-oxomethyl]amino]-2-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-1,4-dioxoheptyl]amino]-2-[[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[(1S)-1-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylcyclohexyl]carbamoylamino]-2-(3,3-dimethyl-2-oxobutyl)-6,6-dimethyl-4-oxoheptanoyl]amino]-2-[[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[(1S)-1-[[(2R,5S)-5-[[(2S,6R)-2,6-dimethylcyclohexyl]carbamoylamino]-4-keto-2-(2-keto-3,3-dimethyl-butyl)-6,6-dimethyl-heptanoyl]amino]-2-[[(1S)-3,3-dimethyl-1-methylol-butyl]amino]-2-keto-ethyl]cyclopentanecarboxylic acid Formula: C39H68N4O8 MolecularWeight: 720.97922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC(=O)NC(C(=O)CC(CC(=O)C(C)(C)C)C(=O)NC(C(=O)NC(CC(C)(C)C)CO)C2(CCCC2)C(=O)O)C(C)(C)C)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)(C)C)CO)C2(CCCC2)C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C39H68N4O8/c1-23-15-14-16-24(2)29(23)41-35(51)43-30(38(9,10)11)27(45)19-25(20-28(46)37(6,7)8)32(47)42-31(39(34(49)50)17-12-13-18-39)33(48)40-26(22-44)21-36(3,4)5/h23-26,29-31,44H,12-22H2,1-11H3,(H,40,48)(H,42,47)(H,49,50)(H2,41,43,51)/t23-,24+,25-,26-,29?,30+,31+/m0/s1