(2S)-N-[(6S,7R,8S)-1-cyclohexyl-10-methyl-7,8-bis(oxidanyl)undecan-6-yl]-2-[2-(morpholin-4-ylsulfonylamino)ethanoylamino]pent-4-enamide

Systemtic Name: (2S)-N-[(6S,7R,8S)-1-cyclohexyl-10-methyl-7,8-bis(oxidanyl)undecan-6-yl]-2-[2-(morpholin-4-ylsulfonylamino)ethanoylamino]pent-4-enamide Openeye Name: (2S)-N-[(1S,2R,3S)-1-(5-cyclohexylpentyl)-2,3-dihydroxy-5-methyl-hexyl]-2-[[2-(morpholinosulfonylamino)acetyl]amino]pent-4-enamide CAS Name: (2S)-N-[(6S,7R,8S)-1-cyclohexyl-7,8-dihydroxy-10-methylundecan-6-yl]-2-[[2-(4-morpholinylsulfonylamino)-1-oxoethyl]amino]-4-pentenamide IUPAC Name: (2S)-N-[(6S,7R,8S)-1-cyclohexyl-7,8-dihydroxy-10-methylundecan-6-yl]-2-[[2-(morpholin-4-ylsulfonylamino)acetyl]amino]pent-4-enamide Traditional Name: (2S)-N-[(1S,2R,3S)-1-(5-cyclohexylpentyl)-2,3-dihydroxy-5-methyl-hexyl]-2-[[2-(morpholinosulfonylamino)acetyl]amino]pent-4-enamide Formula: C29H54N4O7S MolecularWeight: 602.82666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CCCCCC1CCCCC1)NC(=O)C(CC=C)NC(=O)CNS(=O)(=O)N2CCOCC2)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CCCCCC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N2CCOCC2)O)O

InChI

InChI=1S/C29H54N4O7S/c1-4-11-25(31-27(35)21-30-41(38,39)33-16-18-40-19-17-33)29(37)32-24(28(36)26(34)20-22(2)3)15-10-6-9-14-23-12-7-5-8-13-23/h4,22-26,28,30,34,36H,1,5-21H2,2-3H3,(H,31,35)(H,32,37)/t24-,25-,26-,28+/m0/s1