(3S,6S,9S,12R,15S,18S)-9-(cyclohexylmethyl)-12-(1H-indol-3-ylmethyl)-3,15-bis(phenylmethyl)-6-propan-2-yl-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)-9-(cyclohexylmethyl)-12-(1H-indol-3-ylmethyl)-3,15-bis(phenylmethyl)-6-propan-2-yl-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)-3,15-dibenzyl-9-(cyclohexylmethyl)-12-(1H-indol-3-ylmethyl)-6-isopropyl-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)-9-(cyclohexylmethyl)-12-(1H-indol-3-ylmethyl)-3,15-bis(phenylmethyl)-6-propan-2-yl-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)-3,15-dibenzyl-9-(cyclohexylmethyl)-12-(1H-indol-3-ylmethyl)-6-propan-2-yl-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)-3,15-dibenzyl-9-(cyclohexylmethyl)-12-(1H-indol-3-ylmethyl)-6-isopropyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-triquinone Formula: C48H59N7O6 MolecularWeight: 830.02536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC3CCCCC3)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC3CCCCC3)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C48H59N7O6/c1-30(2)42-47(60)53-40(27-33-19-10-5-11-20-33)48(61)55-24-14-23-41(55)46(59)52-37(25-31-15-6-3-7-16-31)43(56)51-39(28-34-29-49-36-22-13-12-21-35(34)36)44(57)50-38(45(58)54-42)26-32-17-8-4-9-18-32/h3,5-7,10-13,15-16,19-22,29-30,32,37-42,49H,4,8-9,14,17-18,23-28H2,1-2H3,(H,50,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)/t37-,38-,39+,40-,41-,42-/m0/s1