(3S,6R,9S,12S,15S)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)-9-propan-2-yl-12,15-bis(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

Systemtic Name: (3S,6R,9S,12S,15S)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)-9-propan-2-yl-12,15-bis(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Openeye Name: (3R,6S,9S,12S,15S)-3-isobutyl-6-isopropyl-15-[(1S)-1-methylpropyl]-9,12-bis(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone CAS Name: (3S,6R,9S,12S,15S)-3-[(2S)-butan-2-yl]-12,15-bis(mercaptomethyl)-6-(2-methylpropyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone IUPAC Name: (3S,6R,9S,12S,15S)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)-9-propan-2-yl-12,15-bis(sulfanylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Traditional Name: (3R,6S,9S,12S,15S)-3-isobutyl-6-isopropyl-9,12-bis(mercaptomethyl)-15-[(1S)-1-methylpropyl]-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone Formula: C23H41N5O5S2 MolecularWeight: 531.73214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)CS)CS

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C(C)C)CS)CS

InChI

InChI=1S/C23H41N5O5S2/c1-7-13(6)18-23(33)26-15(9-34)20(30)25-16(10-35)21(31)27-17(12(4)5)22(32)24-14(8-11(2)3)19(29)28-18/h11-18,34-35H,7-10H2,1-6H3,(H,24,32)(H,25,30)(H,26,33)(H,27,31)(H,28,29)/t13-,14+,15+,16+,17-,18-/m0/s1