(3S,6S,9S,12S,15S,18S)-6-[(2S)-butan-2-yl]-18-(1H-indol-3-ylmethyl)-9,12-dimethyl-3,15-bis(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone

Systemtic Name: (3S,6S,9S,12S,15S,18S)-6-[(2S)-butan-2-yl]-18-(1H-indol-3-ylmethyl)-9,12-dimethyl-3,15-bis(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone Openeye Name: (3S,6S,9S,12S,15S,18S)-18-(1H-indol-3-ylmethyl)-3,15-diisobutyl-9,12-dimethyl-6-[(1S)-1-methylpropyl]-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone CAS Name: (3S,6S,9S,12S,15S,18S)-6-[(2S)-butan-2-yl]-18-(1H-indol-3-ylmethyl)-9,12-dimethyl-3,15-bis(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone IUPAC Name: (3S,6S,9S,12S,15S,18S)-6-[(2S)-butan-2-yl]-18-(1H-indol-3-ylmethyl)-9,12-dimethyl-3,15-bis(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone Traditional Name: (3S,6S,9S,12S,15S,18S)-18-(1H-indol-3-ylmethyl)-3,15-diisobutyl-9,12-dimethyl-6-[(1S)-1-methylpropyl]-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-tetraquinone Formula: C39H59N9O8 MolecularWeight: 781.94126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)C)CC(C)C)CC2=CNC3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)C)CC(C)C)CC2=CNC3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C39H59N9O8/c1-9-22(6)33-39(56)47-28(14-20(2)3)36(53)42-18-31(49)41-19-32(50)45-30(16-25-17-40-27-13-11-10-12-26(25)27)38(55)46-29(15-21(4)5)37(54)44-23(7)34(51)43-24(8)35(52)48-33/h10-13,17,20-24,28-30,33,40H,9,14-16,18-19H2,1-8H3,(H,41,49)(H,42,53)(H,43,51)(H,44,54)(H,45,50)(H,46,55)(H,47,56)(H,48,52)/t22-,23-,24-,28-,29-,30-,33-/m0/s1