(5S,8S,11S,14S,17S)-5-[(2S)-butan-2-yl]-17-methyl-8-[(1R)-1-(2-methylbut-3-en-2-yloxy)ethyl]-14-[(1R)-1-oxidanylethyl]-11-(phenylmethyl)-19-thia-3,6,7,10,13,16,21-heptazabicyclo[16.2.1]henicos-18(21)-ene-2,4,9,12,15-pentone

Systemtic Name: (5S,8S,11S,14S,17S)-5-[(2S)-butan-2-yl]-17-methyl-8-[(1R)-1-(2-methylbut-3-en-2-yloxy)ethyl]-14-[(1R)-1-oxidanylethyl]-11-(phenylmethyl)-19-thia-3,6,7,10,13,16,21-heptazabicyclo[16.2.1]henicos-18(21)-ene-2,4,9,12,15-pentone Openeye Name: (5S,8S,11S,14S,17S)-11-benzyl-8-[(1R)-1-(1,1-dimethylallyloxy)ethyl]-14-[(1R)-1-hydroxyethyl]-17-methyl-5-[(1S)-1-methylpropyl]-19-thia-3,6,7,10,13,16,21-heptazabicyclo[16.2.1]henicos-18(21)-ene-2,4,9,12,15-pentone CAS Name: (5S,8S,11S,14S,17S)-5-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-17-methyl-8-[(1R)-1-(2-methylbut-3-en-2-yloxy)ethyl]-11-(phenylmethyl)-19-thia-3,6,7,10,13,16,21-heptazabicyclo[16.2.1]heneicos-18(21)-ene-2,4,9,12,15-pentone IUPAC Name: (5S,8S,11S,14S,17S)-11-benzyl-5-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-17-methyl-8-[(1R)-1-(2-methylbut-3-en-2-yloxy)ethyl]-19-thia-3,6,7,10,13,16,21-heptazabicyclo[16.2.1]henicos-18(21)-ene-2,4,9,12,15-pentone Traditional Name: (5S,8S,11S,14S,17S)-11-benzyl-8-[(1R)-1-(1,1-dimethylallyloxy)ethyl]-14-[(1R)-1-hydroxyethyl]-17-methyl-5-[(1S)-1-methylpropyl]-19-thia-3,6,7,10,13,16,21-heptazabicyclo[16.2.1]heneicos-18(21)-ene-2,4,9,12,15-pentone Formula: C34H51N7O7S MolecularWeight: 701.87644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(=O)C2CSC(=N2)C(NC(=O)C(NC(=O)C(NC(=O)C(NN1)C(C)OC(C)(C)C=C)CC3=CC=CC=C3)C(C)O)C

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)NC(=O)C2CSC(=N2)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NN1)[C@@H](C)OC(C)(C)C=C)CC3=CC=CC=C3)[C@@H](C)O)C

InChI

InChI=1S/C34H51N7O7S/c1-9-18(3)25-30(45)39-29(44)24-17-49-33(37-24)19(4)35-31(46)26(20(5)42)38-28(43)23(16-22-14-12-11-13-15-22)36-32(47)27(41-40-25)21(6)48-34(7,8)10-2/h10-15,18-21,23-27,40-42H,2,9,16-17H2,1,3-8H3,(H,35,46)(H,36,47)(H,38,43)(H,39,44,45)/t18-,19-,20+,21+,23-,24?,25-,26-,27-/m0/s1