(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

C131H175ClF2N16O20 — CID 160950595

IUPAC(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
SMILESCC(O)[C@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CN1C(=O)[C@H](C2CCCCC2)NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CO
InChIInChI=1S/C33H43ClN4O5.C33H45FN4O5.C33H43FN4O5.C32H44N4O5/c3*1-22(39)30-32(41)37-27(21-23-14-16-26(34)17-15-23)31(40)36-18-8-12-24-9-6-7-13-28(24)43-20-19-35-29(33(42)38(30)2)25-10-4-3-5-11-25;1-36-27(22-37)31(39)35-26(21-23-11-4-2-5-12-23)30(38)34-18-10-16-24-13-8-9-17-28(24)41-20-19-33-29(32(36)40)25-14-6-3-7-15-25/h6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41);6-7,9,13-17,22,25,27,29-30,35,39H,3-5,8,10-12,18-21H2,1-2H3,(H,36,40)(H,37,41);6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41);2,4-5,8-9,11-13,17,25-27,29,33,37H,3,6-7,10,14-16,18-22H2,1H3,(H,34,38)(H,35,39)/b12-8+;;12-8+;/t3*22?,27-,29+,30+;26-,27+,29+/m1111/s1
InChIKeySVRYJYWBJGFFIL-AVVMHMGTSA-N
MW2367.38 g/mol
LogP11.11
Rot. Bonds16

About (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

(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 (PubChem CID 160950595) has the molecular formula C131H175ClF2N16O20 and a molecular weight of 2367.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160950595
Molecular FormulaC131H175ClF2N16O20
Molecular Weight2367.38 g/mol
Exact Mass2365.28
IUPAC Name(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
SMILESCC(O)[C@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CN1C(=O)[C@H](C2CCCCC2)NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CO
InChIInChI=1S/C33H43ClN4O5.C33H45FN4O5.C33H43FN4O5.C32H44N4O5/c3*1-22(39)30-32(41)37-27(21-23-14-16-26(34)17-15-23)31(40)36-18-8-12-24-9-6-7-13-28(24)43-20-19-35-29(33(42)38(30)2)25-10-4-3-5-11-25;1-36-27(22-37)31(39)35-26(21-23-11-4-2-5-12-23)30(38)34-18-10-16-24-13-8-9-17-28(24)41-20-19-33-29(32(36)40)25-14-6-3-7-15-25/h6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41);6-7,9,13-17,22,25,27,29-30,35,39H,3-5,8,10-12,18-21H2,1-2H3,(H,36,40)(H,37,41);6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41);2,4-5,8-9,11-13,17,25-27,29,33,37H,3,6-7,10,14-16,18-22H2,1H3,(H,34,38)(H,35,39)/b12-8+;;12-8+;/t3*22?,27-,29+,30+;26-,27+,29+/m1111/s1
InChIKeySVRYJYWBJGFFIL-AVVMHMGTSA-N
XLogP11.11
TPSA480.00 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002367.38
LogP ≤ 511.11
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,9S,12R)-12-[(4-chlorophenyl)methyl]-6-cyclohexyl-9-(hydroxymethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
CID 90837148
(6S,9S,12R)-6-cyclohexyl-9-(hydroxymethyl)-12-[(4-hydroxyphenyl)methyl]-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
CID 91117836
(6S,9R,12R)-12-benzyl-6-butan-2-yl-9-(hydroxymethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 11584669
(6S,9S,12R)-12-benzyl-6-butan-2-yl-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 11678419
(16E)-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
CID 143377181
(6S,9S,12R)-12-benzyl-6-butan-2-yl-21-fluoro-9-(1-hydroxyethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione
CID 52935065
(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
(6S,9R,12R)-20-chloro-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione
CID 134151758
6-cyclopropyl-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;ethylbenzene
CID 143377311
(7R,10S,13S)-7-benzyl-13-[(2S)-butan-2-yl]-10-[(1S)-1-hydroxyethyl]-11-methyl-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-6,9,12-trione
CID 123390835
(6S,9S,12S)-9-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-8-methyl-12-[(3-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 70953551
(16E)-6-cyclopropyl-9-(hydroxymethyl)-8-methyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione;toluene
CID 143377130

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC/C=C/c2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CC(O)[C@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CCCCC2)C(=O)N1C.CN1C(=O)[C@H](C2CCCCC2)NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1CO.
What is the InChIKey of (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?
The InChIKey is SVRYJYWBJGFFIL-AVVMHMGTSA-N. The full InChI is InChI=1S/C33H43ClN4O5.C33H45FN4O5.C33H43FN4O5.C32H44N4O5/c3*1-22(39)30-32(41)37-27(21-23-14-16-26(34)17-15-23)31(40)36-18-8-12-24-9-6-7-13-28(24)43-20-19-35-29(33(42)38(30)2)25-10-4-3-5-11-25;1-36-27(22-37)31(39)35-26(21-23-11-4-2-5-12-23)30(38)34-18-10-16-24-13-8-9-17-28(24)41-20-19-33-29(32(36)40)25-14-6-3-7-15-25/h6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41);6-7,9,13-17,22,25,27,29-30,35,39H,3-5,8,10-12,18-21H2,1-2H3,(H,36,40)(H,37,41);6-9,12-17,22,25,27,29-30,35,39H,3-5,10-11,18-21H2,1-2H3,(H,36,40)(H,37,41);2,4-5,8-9,11-13,17,25-27,29,33,37H,3,6-7,10,14-16,18-22H2,1H3,(H,34,38)(H,35,39)/b12-8+;;12-8+;/t3*22?,27-,29+,30+;26-,27+,29+/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 2367.38 g/mol, XLogP of 11.11, 16 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160950595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).