(3S,6R,9S,12S,15S,18S,21S,23S)-15-(1H-indol-3-ylmethyl)-3,9,18-trimethyl-12-[2-methyl-2,3-bis(oxidanyl)propyl]-23-oxidanyl-6-[(1S)-1-oxidanylethyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone

Systemtic Name: (3S,6R,9S,12S,15S,18S,21S,23S)-15-(1H-indol-3-ylmethyl)-3,9,18-trimethyl-12-[2-methyl-2,3-bis(oxidanyl)propyl]-23-oxidanyl-6-[(1S)-1-oxidanylethyl]-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Openeye Name: (3S,6R,9S,12S,15S,18S,21S,23S)-12-(2,3-dihydroxy-2-methyl-propyl)-23-hydroxy-6-[(1S)-1-hydroxyethyl]-15-(1H-indol-3-ylmethyl)-3,9,18-trimethyl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone CAS Name: (3S,6R,9S,12S,15S,18S,21S,23S)-12-(2,3-dihydroxy-2-methylpropyl)-23-hydroxy-6-[(1S)-1-hydroxyethyl]-15-(1H-indol-3-ylmethyl)-3,9,18-trimethyl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone IUPAC Name: (3S,6R,9S,12S,15S,18S,21S,23S)-12-(2,3-dihydroxy-2-methylpropyl)-23-hydroxy-6-[(1S)-1-hydroxyethyl]-15-(1H-indol-3-ylmethyl)-3,9,18-trimethyl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Traditional Name: (3S,6R,9S,12S,15S,18S,21S,23S)-12-(2,3-dihydroxy-2-methyl-propyl)-23-hydroxy-6-[(1S)-1-hydroxyethyl]-15-(1H-indol-3-ylmethyl)-3,9,18-trimethyl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone Formula: C35H50N8O11 MolecularWeight: 758.8185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CC(CC2C(=O)N1)O)C)C(C)O)C)CC(C)(CO)O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

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)N[C@H](C(=O)N2C[C@H](C[C@H]2C(=O)N1)O)C)[C@H](C)O)C)CC(C)(CO)O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C35H50N8O11/c1-16-28(47)40-24(10-20-13-36-23-9-7-6-8-22(20)23)30(49)41-25(12-35(5,54)15-44)31(50)37-17(2)29(48)42-27(19(4)45)33(52)39-18(3)34(53)43-14-21(46)11-26(43)32(51)38-16/h6-9,13,16-19,21,24-27,36,44-46,54H,10-12,14-15H2,1-5H3,(H,37,50)(H,38,51)(H,39,52)(H,40,47)(H,41,49)(H,42,48)/t16-,17-,18-,19-,21-,24-,25-,26-,27+,35?/m0/s1