(6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione

C128H172N14O19 — CID 159944437

IUPAC(6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
SMILESCC(C)[C@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC(=O)N(C)NC1=O.CCC[C@@H]1NC(=O)C(C(C)C)CC[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O.CCC[C@@H]1NC(=O)C(C(C)C)OC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O.CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O
InChIInChI=1S/C34H43N3O5.C32H47N3O4.C31H39N5O4.C31H43N3O6/c1-4-11-28-32(38)36-19-10-16-25-13-6-8-18-30(25)41-21-20-35-29(34(40)42-31(23(2)3)33(39)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26;1-5-9-29-32(37)34-19-8-11-25-10-6-7-12-30(25)39-21-20-33-26(15-18-28(23(2)3)31(36)35-29)22-24-13-16-27(38-4)17-14-24;1-21(2)28-30(38)35-36(3)31(39)33-17-9-14-23-11-5-7-16-27(23)40-19-18-32-26(29(37)34-28)20-24-13-8-12-22-10-4-6-15-25(22)24;1-5-9-25-29(35)33-17-8-11-23-10-6-7-12-27(23)39-19-18-32-26(20-22-13-15-24(38-4)16-14-22)31(37)40-28(21(2)3)30(36)34-25/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,38)(H,37,39);6-7,10,12-14,16-17,23,26,28-29,33H,5,8-9,11,15,18-22H2,1-4H3,(H,34,37)(H,35,36);4-8,10-13,15-16,21,26,28,32H,9,14,17-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38);6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,35)(H,34,36)/t28-,29+,31+;26-,28?,29-;26-,28-;25-,26+,28?/m0010/s1
InChIKeyOBHPXQSTKJXPHM-OEFKIOMHSA-N
MW2210.86 g/mol
LogP15.38
Rot. Bonds20

About (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione

(6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione (PubChem CID 159944437) has the molecular formula C128H172N14O19 and a molecular weight of 2210.86 g/mol. Its IUPAC name is (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione.

Molecular Properties

Compound Name(6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
PubChem CID159944437
Molecular FormulaC128H172N14O19
Molecular Weight2210.86 g/mol
Exact Mass2209.29
IUPAC Name(6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
SMILESCC(C)[C@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC(=O)N(C)NC1=O.CCC[C@@H]1NC(=O)C(C(C)C)CC[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O.CCC[C@@H]1NC(=O)C(C(C)C)OC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O.CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O
InChIInChI=1S/C34H43N3O5.C32H47N3O4.C31H39N5O4.C31H43N3O6/c1-4-11-28-32(38)36-19-10-16-25-13-6-8-18-30(25)41-21-20-35-29(34(40)42-31(23(2)3)33(39)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26;1-5-9-29-32(37)34-19-8-11-25-10-6-7-12-30(25)39-21-20-33-26(15-18-28(23(2)3)31(36)35-29)22-24-13-16-27(38-4)17-14-24;1-21(2)28-30(38)35-36(3)31(39)33-17-9-14-23-11-5-7-16-27(23)40-19-18-32-26(29(37)34-28)20-24-13-8-12-22-10-4-6-15-25(22)24;1-5-9-25-29(35)33-17-8-11-23-10-6-7-12-27(23)39-19-18-32-26(20-22-13-15-24(38-4)16-14-22)31(37)40-28(21(2)3)30(36)34-25/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,38)(H,37,39);6-7,10,12-14,16-17,23,26,28-29,33H,5,8-9,11,15,18-22H2,1-4H3,(H,34,37)(H,35,36);4-8,10-13,15-16,21,26,28,32H,9,14,17-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38);6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,35)(H,34,36)/t28-,29+,31+;26-,28?,29-;26-,28-;25-,26+,28?/m0010/s1
InChIKeyOBHPXQSTKJXPHM-OEFKIOMHSA-N
XLogP15.38
TPSA421.24 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002210.86
LogP ≤ 515.38
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Analyze (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione with MolForge

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Related Compounds

(6R,9R,12S)-6-[(3,4-dimethoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-[(4-fluorophenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-[(3-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 158706785
(6R,9R,12S)-9-propan-2-yl-12-propyl-6-[[4-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 59277947
(6R,9R,12S)-6-(1-benzothiophen-3-ylmethyl)-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-[(3-methylphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-9-propan-2-yl-12-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 159587061
(6R,9R,12S)-6-[(4-methoxyphenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboximidamide
CID 89114050
(6R,9R,12S)-6-[(4-fluorophenyl)methyl]-12-(2-methylpropyl)-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 11421532
(6R,9R,12S)-12-ethyl-9-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 59277980
(6R,9R,12S)-6-[(3-iodophenyl)methyl]-9-propan-2-yl-12-(pyrazol-1-ylmethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 70899297
3-[(6S,9R,12R)-12-benzyl-7,10,13-trioxo-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-9-yl]propanoic acid
CID 134154632
(3R,6S,9R,12R)-12-[(4-methoxyphenyl)methyl]-3,8,9-trimethyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 24969606
(6R,9R,12S)-6-[(3-chlorophenyl)methyl]-9-propan-2-yl-12-[2-(1,3-thiazol-2-yl)ethyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 59277940
(6R,9R,12S)-12-[(dimethylamino)methyl]-6-[(3-methylphenyl)methyl]-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 70899280
(6R,9R,12S)-6-[(4-chloro-3-iodophenyl)methyl]-12-(cyclopropylmethyl)-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 66596102

Frequently Asked Questions

What is the IUPAC name of (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione?
The IUPAC name of (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione (CID 159944437) is (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione.
What is the SMILES notation for (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione?
The canonical SMILES for (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione is CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC(=O)N(C)NC1=O.CCC[C@@H]1NC(=O)C(C(C)C)CC[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O.CCC[C@@H]1NC(=O)C(C(C)C)OC(=O)[C@@H](Cc2ccc(OC)cc2)NCCOc2ccccc2CCCNC1=O.CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O.
What is the InChIKey of (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione?
The InChIKey is OBHPXQSTKJXPHM-OEFKIOMHSA-N. The full InChI is InChI=1S/C34H43N3O5.C32H47N3O4.C31H39N5O4.C31H43N3O6/c1-4-11-28-32(38)36-19-10-16-25-13-6-8-18-30(25)41-21-20-35-29(34(40)42-31(23(2)3)33(39)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26;1-5-9-29-32(37)34-19-8-11-25-10-6-7-12-30(25)39-21-20-33-26(15-18-28(23(2)3)31(36)35-29)22-24-13-16-27(38-4)17-14-24;1-21(2)28-30(38)35-36(3)31(39)33-17-9-14-23-11-5-7-16-27(23)40-19-18-32-26(29(37)34-28)20-24-13-8-12-22-10-4-6-15-25(22)24;1-5-9-25-29(35)33-17-8-11-23-10-6-7-12-27(23)39-19-18-32-26(20-22-13-15-24(38-4)16-14-22)31(37)40-28(21(2)3)30(36)34-25/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,38)(H,37,39);6-7,10,12-14,16-17,23,26,28-29,33H,5,8-9,11,15,18-22H2,1-4H3,(H,34,37)(H,35,36);4-8,10-13,15-16,21,26,28,32H,9,14,17-20H2,1-3H3,(H,33,39)(H,34,37)(H,35,38);6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,35)(H,34,36)/t28-,29+,31+;26-,28?,29-;26-,28-;25-,26+,28?/m0010/s1.
What are the key properties of (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione?
(6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione has a molecular weight of 2210.86 g/mol, XLogP of 15.38, 20 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-10,13-dione;(6R,9R)-12-methyl-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-2-oxa-5,8,11,12,14-pentazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2,8-dioxa-5,11,14-triazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione is sourced from PubChem (CID 159944437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).