(3S,6S,9S,12R,15S,18S)-12-(1H-indol-3-ylmethyl)-15-methyl-6-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-bis(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Systemtic Name: (3S,6S,9S,12R,15S,18S)-12-(1H-indol-3-ylmethyl)-15-methyl-6-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-bis(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Openeye Name: (3S,6S,9S,12R,15S,18S)-3,9-dibenzyl-6-[(1R)-1-tert-butoxyethyl]-12-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone CAS Name: (3S,6S,9S,12R,15S,18S)-12-(1H-indol-3-ylmethyl)-15-methyl-6-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-bis(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-hexone IUPAC Name: (3S,6S,9S,12R,15S,18S)-3,9-dibenzyl-12-(1H-indol-3-ylmethyl)-15-methyl-6-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Traditional Name: (3S,6S,9S,12R,15S,18S)-3,9-dibenzyl-6-[(1R)-1-tert-butoxyethyl]-12-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-triquinone Formula: C45H55N7O7 MolecularWeight: 805.9609

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C(C)OC(C)(C)C)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65

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)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)[C@@H](C)OC(C)(C)C)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C45H55N7O7/c1-27-39(53)48-35(25-31-26-46-33-20-13-12-19-32(31)33)40(54)49-34(23-29-15-8-6-9-16-29)41(55)51-38(28(2)59-45(3,4)5)43(57)50-36(24-30-17-10-7-11-18-30)44(58)52-22-14-21-37(52)42(56)47-27/h6-13,15-20,26-28,34-38,46H,14,21-25H2,1-5H3,(H,47,56)(H,48,53)(H,49,54)(H,50,57)(H,51,55)/t27-,28+,34-,35+,36-,37-,38-/m0/s1