(4R,5S,8S,11S,14S,17S)-8-butan-2-yl-11-[(4-hydroxyphenyl)methyl]-5,10,13,17-tetramethyl-14-propan-2-yl-4-propyl-7-oxa-21-thia-3,10,13,16,19-pentazabicyclo[16.2.1]henicosa-1(20),18-diene-2,6,9,12,15-pentone

Systemtic Name: (4R,5S,8S,11S,14S,17S)-8-butan-2-yl-11-[(4-hydroxyphenyl)methyl]-5,10,13,17-tetramethyl-14-propan-2-yl-4-propyl-7-oxa-21-thia-3,10,13,16,19-pentazabicyclo[16.2.1]henicosa-1(20),18-diene-2,6,9,12,15-pentone Openeye Name: (4R,5S,8S,11S,14S,17S)-11-[(4-hydroxyphenyl)methyl]-14-isopropyl-5,10,13,17-tetramethyl-4-propyl-8-sec-butyl-7-oxa-21-thia-3,10,13,16,19-pentazabicyclo[16.2.1]henicosa-1(20),18-diene-2,6,9,12,15-pentone CAS Name: (4R,5S,8S,11S,14S,17S)-8-butan-2-yl-11-[(4-hydroxyphenyl)methyl]-5,10,13,17-tetramethyl-14-propan-2-yl-4-propyl-7-oxa-21-thia-3,10,13,16,19-pentazabicyclo[16.2.1]heneicosa-1(20),18-diene-2,6,9,12,15-pentone IUPAC Name: (4R,5S,8S,11S,14S,17S)-8-butan-2-yl-11-[(4-hydroxyphenyl)methyl]-5,10,13,17-tetramethyl-14-propan-2-yl-4-propyl-7-oxa-21-thia-3,10,13,16,19-pentazabicyclo[16.2.1]henicosa-1(20),18-diene-2,6,9,12,15-pentone Traditional Name: (4R,5S,8S,11S,14S,17S)-11-(4-hydroxybenzyl)-14-isopropyl-5,10,13,17-tetramethyl-4-propyl-8-sec-butyl-7-oxa-21-thia-3,10,13,16,19-pentazabicyclo[16.2.1]heneicosa-1(20),18-diene-2,6,9,12,15-pentone Formula: C35H51N5O7S MolecularWeight: 685.87374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(=O)OC(C(=O)N(C(C(=O)N(C(C(=O)NC(C2=NC=C(S2)C(=O)N1)C)C(C)C)C)CC3=CC=C(C=C3)O)C)C(C)CC)C

Isomeric SMILES

CCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C2=NC=C(S2)C(=O)N1)C)C(C)C)C)CC3=CC=C(C=C3)O)C)C(C)CC)C

InChI

InChI=1S/C35H51N5O7S/c1-10-12-25-21(6)35(46)47-29(20(5)11-2)34(45)39(8)26(17-23-13-15-24(41)16-14-23)33(44)40(9)28(19(3)4)31(43)37-22(7)32-36-18-27(48-32)30(42)38-25/h13-16,18-22,25-26,28-29,41H,10-12,17H2,1-9H3,(H,37,43)(H,38,42)/t20?,21-,22-,25+,26-,28-,29-/m0/s1