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

Systemtic Name: (3S,6S,9S,12S,15R,18S)-6-(3-azanylpropyl)-12-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Openeye Name: (3S,6S,9S,12S,15R,18S)-6-(3-aminopropyl)-12-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-9-(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,12S,15R,18S)-6-(3-aminopropyl)-12-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-hexone IUPAC Name: (3S,6S,9S,12S,15R,18S)-6-(3-aminopropyl)-12-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone Traditional Name: (3S,6S,9S,12S,15R,18S)-6-(3-aminopropyl)-3-(4-hydroxybenzyl)-9-(1H-indol-3-ylmethyl)-15-methyl-12-methylol-1,4,7,10,13,16-hexazabicyclo[16.3.0]heneicosane-2,5,8,11,14,17-triquinone Formula: C36H46N8O8 MolecularWeight: 718.79924

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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=C(C=C3)O)CCCN)CC4=CNC5=CC=CC=C54)CO

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=C(C=C3)O)CCCN)CC4=CNC5=CC=CC=C54)CO

InChI

InChI=1S/C36H46N8O8/c1-20-31(47)43-29(19-45)34(50)41-27(17-22-18-38-25-7-3-2-6-24(22)25)33(49)40-26(8-4-14-37)32(48)42-28(16-21-10-12-23(46)13-11-21)36(52)44-15-5-9-30(44)35(51)39-20/h2-3,6-7,10-13,18,20,26-30,38,45-46H,4-5,8-9,14-17,19,37H2,1H3,(H,39,51)(H,40,49)(H,41,50)(H,42,48)(H,43,47)/t20-,26+,27+,28+,29+,30+/m1/s1