1-[2-[[(8S,11R,12S)-11-(2-methylpropyl)-12-(oxidanylcarbamoyl)-2,10-bis(oxidanylidene)-1-oxa-3,9-diazacyclopentadec-8-yl]carbonylamino]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[[(8S,11R,12S)-11-(2-methylpropyl)-12-(oxidanylcarbamoyl)-2,10-bis(oxidanylidene)-1-oxa-3,9-diazacyclopentadec-8-yl]carbonylamino]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[[(8S,11R,12S)-12-(hydroxycarbamoyl)-11-isobutyl-2,10-dioxo-1-oxa-3,9-diazacyclopentadecane-8-carbonyl]amino]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[[(8S,11R,12S)-12-[(hydroxyamino)-oxomethyl]-11-(2-methylpropyl)-2,10-dioxo-1-oxa-3,9-diazacyclopentadec-8-yl]-oxomethyl]amino]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[[(8S,11R,12S)-12-(hydroxycarbamoyl)-11-(2-methylpropyl)-2,10-dioxo-1-oxa-3,9-diazacyclopentadecane-8-carbonyl]amino]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[[(8S,11R,12S)-12-(hydroxycarbamoyl)-11-isobutyl-2,10-diketo-1-oxa-3,9-diazacyclopentadecane-8-carbonyl]amino]acetyl]nipecotic acid Formula: C26H43N5O9 MolecularWeight: 569.64772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CCCOC(=O)NCCCCC(NC1=O)C(=O)NCC(=O)N2CCCC(C2)C(=O)O)C(=O)NO

Isomeric SMILES

CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N2CCCC(C2)C(=O)O)C(=O)NO

InChI

InChI=1S/C26H43N5O9/c1-16(2)13-19-18(23(34)30-39)8-6-12-40-26(38)27-10-4-3-9-20(29-22(19)33)24(35)28-14-21(32)31-11-5-7-17(15-31)25(36)37/h16-20,39H,3-15H2,1-2H3,(H,27,38)(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t17?,18-,19+,20-/m0/s1