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

Systemtic Name: (3S,6S,9S,12S,15S,18R)-9-(3-azanylpropyl)-3,15-bis(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Openeye Name: (3S,6S,9S,12S,15S,18R)-9-(3-aminopropyl)-3,15-bis(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone CAS Name: (3S,6S,9S,12S,15S,18R)-9-(3-aminopropyl)-3,15-bis(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-hexone IUPAC Name: (3S,6S,9S,12S,15S,18R)-9-(3-aminopropyl)-3,15-bis(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Traditional Name: (3S,6S,9S,12S,15S,18R)-9-(3-aminopropyl)-6-(4-hydroxybenzyl)-12-(1H-indol-3-ylmethyl)-3,15-dimethylol-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-triquinone Formula: C36H46N8O9 MolecularWeight: 734.79864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CO)CC3=CC=C(C=C3)O)CCCN)CC4=CNC5=CC=CC=C54)CO

Isomeric SMILES

C1C[C@@H]2C(=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)N2C1)CO)CC3=CC=C(C=C3)O)CCCN)CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C36H46N8O9/c37-13-3-7-25-31(48)40-26(15-20-9-11-22(47)12-10-20)32(49)43-29(19-46)36(53)44-14-4-8-30(44)35(52)42-28(18-45)34(51)41-27(33(50)39-25)16-21-17-38-24-6-2-1-5-23(21)24/h1-2,5-6,9-12,17,25-30,38,45-47H,3-4,7-8,13-16,18-19,37H2,(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,49)/t25-,26-,27-,28-,29-,30+/m0/s1