(7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione

C134H179ClN16O21 — CID 160670802

IUPAC(7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
SMILESCC(c1ccccc1)[C@H]1NC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC1=O.CN1C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]1C(C)(C)O.CN1C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1C(C)(C)O.CN1C(=O)[C@H](C2CCCCC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CO
InChIInChI=1S/2C34H46N4O5.C33H43ClN4O5.C33H44N4O6/c1-21(22-10-6-5-7-11-22)27-31(39)35-19-9-14-24-12-8-13-25-17-18-26(43-29(24)25)20-36-28(23-15-16-23)33(41)38(4)30(32(40)37-27)34(2,3)42;1-38-29(22-39)33(41)37-28(20-23-10-4-2-5-11-23)32(40)35-19-9-16-25-14-8-15-26-17-18-27(43-31(25)26)21-36-30(34(38)42)24-12-6-3-7-13-24;1-33(2,42)29-31(40)37-26(18-20-9-14-24(34)15-10-20)30(39)35-17-5-8-22-6-4-7-23-13-16-25(43-28(22)23)19-36-27(21-11-12-21)32(41)38(29)3;1-33(2,42)29-31(40)36-26(18-20-9-14-24(38)15-10-20)30(39)34-17-5-8-22-6-4-7-23-13-16-25(43-28(22)23)19-35-27(21-11-12-21)32(41)37(29)3/h5-8,10-13,21,23,26-28,30,36,42H,9,14-20H2,1-4H3,(H,35,39)(H,37,40);2,4-5,8,10-11,14-15,24,27-30,36,39H,3,6-7,9,12-13,16-22H2,1H3,(H,35,40)(H,37,41);4,6-7,9-10,14-15,21,25-27,29,36,42H,5,8,11-13,16-19H2,1-3H3,(H,35,39)(H,37,40);4,6-7,9-10,14-15,21,25-27,29,35,38,42H,5,8,11-13,16-19H2,1-3H3,(H,34,39)(H,36,40)/t21?,26?,27-,28+,30-;27?,28-,29+,30+;2*25?,26-,27+,29-/m1111/s1
InChIKeyRMXCYQHXRCQMRM-TXYXTBNKSA-N
MW2385.45 g/mol
LogP9.86
Rot. Bonds16

About (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione

(7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione (PubChem CID 160670802) has the molecular formula C134H179ClN16O21 and a molecular weight of 2385.45 g/mol. Its IUPAC name is (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione.

Molecular Properties

Compound Name(7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
PubChem CID160670802
Molecular FormulaC134H179ClN16O21
Molecular Weight2385.45 g/mol
Exact Mass2383.31
IUPAC Name(7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
SMILESCC(c1ccccc1)[C@H]1NC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC1=O.CN1C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]1C(C)(C)O.CN1C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1C(C)(C)O.CN1C(=O)[C@H](C2CCCCC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CO
InChIInChI=1S/2C34H46N4O5.C33H43ClN4O5.C33H44N4O6/c1-21(22-10-6-5-7-11-22)27-31(39)35-19-9-14-24-12-8-13-25-17-18-26(43-29(24)25)20-36-28(23-15-16-23)33(41)38(4)30(32(40)37-27)34(2,3)42;1-38-29(22-39)33(41)37-28(20-23-10-4-2-5-11-23)32(40)35-19-9-16-25-14-8-15-26-17-18-27(43-31(25)26)21-36-30(34(38)42)24-12-6-3-7-13-24;1-33(2,42)29-31(40)37-26(18-20-9-14-24(34)15-10-20)30(39)35-17-5-8-22-6-4-7-23-13-16-25(43-28(22)23)19-36-27(21-11-12-21)32(41)38(29)3;1-33(2,42)29-31(40)36-26(18-20-9-14-24(38)15-10-20)30(39)34-17-5-8-22-6-4-7-23-13-16-25(43-28(22)23)19-35-27(21-11-12-21)32(41)37(29)3/h5-8,10-13,21,23,26-28,30,36,42H,9,14-20H2,1-4H3,(H,35,39)(H,37,40);2,4-5,8,10-11,14-15,24,27-30,36,39H,3,6-7,9,12-13,16-22H2,1H3,(H,35,40)(H,37,41);4,6-7,9-10,14-15,21,25-27,29,36,42H,5,8,11-13,16-19H2,1-3H3,(H,35,39)(H,37,40);4,6-7,9-10,14-15,21,25-27,29,35,38,42H,5,8,11-13,16-19H2,1-3H3,(H,34,39)(H,36,40)/t21?,26?,27-,28+,30-;27?,28-,29+,30+;2*25?,26-,27+,29-/m1111/s1
InChIKeyRMXCYQHXRCQMRM-TXYXTBNKSA-N
XLogP9.86
TPSA500.23 Ų
H-Bond Donors17
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.45
LogP ≤ 59.86
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1025

Analyze (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione with MolForge

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Related Compounds

(7S,10S,13R)-7-benzyl-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 18502759
(7S,10R,13R)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 21457962
(7R,10R,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10R,13S)-13-cyclopropyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 160996970
(7R,10R,13S)-7-[(4-chlorophenyl)methyl]-9-cyclobutylidene-13-cyclopropyl-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,12-dione
CID 163849201
(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 24969064
13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene
CID 143377193
1-chloro-4-methylbenzene;13-cyclohexyl-10-(hydroxymethyl)-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[15.6.2.020,24]pentacosa-1(24),20,22-triene-6,9,12-trione
CID 143377187
(7R,10R,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 134444017
(6S,9S,12R)-12-benzyl-6-cyclohexyl-9-(hydroxymethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,9S,12R,16E)-12-[(4-chlorophenyl)methyl]-6-cyclohexyl-9-(1-hydroxyethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione;(6S,9S,12R,16E)-6-cyclohexyl-12-[(4-fluorophenyl)methyl]-9-(1-hydroxyethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione;(6S,9S,12R)-6-cyclohexyl-12-[(4-fluorophenyl)methyl]-9-(1-hydroxyethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 160950595
13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene
CID 143377152
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-hydroxyphenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 24970192
13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,12-dione;ethylbenzene;formaldehyde
CID 143377107

Frequently Asked Questions

What is the IUPAC name of (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
The IUPAC name of (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione (CID 160670802) is (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione.
What is the SMILES notation for (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
The canonical SMILES for (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione is CC(c1ccccc1)[C@H]1NC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC1=O.CN1C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]1C(C)(C)O.CN1C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1C(C)(C)O.CN1C(=O)[C@H](C2CCCCC2)NCC2CCc3cccc(c3O2)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CO.
What is the InChIKey of (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
The InChIKey is RMXCYQHXRCQMRM-TXYXTBNKSA-N. The full InChI is InChI=1S/2C34H46N4O5.C33H43ClN4O5.C33H44N4O6/c1-21(22-10-6-5-7-11-22)27-31(39)35-19-9-14-24-12-8-13-25-17-18-26(43-29(24)25)20-36-28(23-15-16-23)33(41)38(4)30(32(40)37-27)34(2,3)42;1-38-29(22-39)33(41)37-28(20-23-10-4-2-5-11-23)32(40)35-19-9-16-25-14-8-15-26-17-18-27(43-31(25)26)21-36-30(34(38)42)24-12-6-3-7-13-24;1-33(2,42)29-31(40)37-26(18-20-9-14-24(34)15-10-20)30(39)35-17-5-8-22-6-4-7-23-13-16-25(43-28(22)23)19-36-27(21-11-12-21)32(41)38(29)3;1-33(2,42)29-31(40)36-26(18-20-9-14-24(38)15-10-20)30(39)34-17-5-8-22-6-4-7-23-13-16-25(43-28(22)23)19-35-27(21-11-12-21)32(41)37(29)3/h5-8,10-13,21,23,26-28,30,36,42H,9,14-20H2,1-4H3,(H,35,39)(H,37,40);2,4-5,8,10-11,14-15,24,27-30,36,39H,3,6-7,9,12-13,16-22H2,1H3,(H,35,40)(H,37,41);4,6-7,9-10,14-15,21,25-27,29,36,42H,5,8,11-13,16-19H2,1-3H3,(H,35,39)(H,37,40);4,6-7,9-10,14-15,21,25-27,29,35,38,42H,5,8,11-13,16-19H2,1-3H3,(H,34,39)(H,36,40)/t21?,26?,27-,28+,30-;27?,28-,29+,30+;2*25?,26-,27+,29-/m1111/s1.
What are the key properties of (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
(7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione has a molecular weight of 2385.45 g/mol, XLogP of 9.86, 16 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10S,13S)-7-benzyl-13-cyclohexyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-7-[(4-hydroxyphenyl)methyl]-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10S,13S)-13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-7-(1-phenylethyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione is sourced from PubChem (CID 160670802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).