(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide

C146H154F12N18O32 — CID 160849239

IUPAC(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
SMILESCO[C@@H]1C[C@@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@@H]1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@@H]1[C@@H](OC)c2c(C(=O)NCc3c(F)cc(C)cc3F)c(=O)c(O)c3n2[C@@]12CCCCN(C2)C3=O.CO[C@@H]1c2c(C(=O)NCc3c(F)cc(C)cc3F)c(=O)c(O)c3n2[C@]2(CCCCN(C2)C3=O)[C@H]1OC.CO[C@H]1C[C@@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@H]1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23
InChIInChI=1S/2C25H27F2N3O6.4C24H25F2N3O5/c2*1-12-8-14(26)13(15(27)9-12)10-28-23(33)16-17-21(35-2)22(36-3)25-6-4-5-7-29(11-25)24(34)18(30(17)25)20(32)19(16)31;4*1-12-7-14(25)13(15(26)8-12)10-27-22(32)17-18-16(34-2)9-24-5-3-4-6-28(11-24)23(33)19(29(18)24)21(31)20(17)30/h2*8-9,21-22,32H,4-7,10-11H2,1-3H3,(H,28,33);4*7-8,16,31H,3-6,9-11H2,1-2H3,(H,27,32)/t2*21-,22+,25+;2*16-,24+;2*16-,24-/m101010/s1
InChIKeySJASPDAWEWKEGC-KWORIOKJSA-N
MW2900.91 g/mol
LogP14.23
Rot. Bonds26

About (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide

(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide (PubChem CID 160849239) has the molecular formula C146H154F12N18O32 and a molecular weight of 2900.91 g/mol. Its IUPAC name is (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide.

Molecular Properties

Compound Name(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
PubChem CID160849239
Molecular FormulaC146H154F12N18O32
Molecular Weight2900.91 g/mol
Exact Mass2899.08
IUPAC Name(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
SMILESCO[C@@H]1C[C@@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@@H]1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@@H]1[C@@H](OC)c2c(C(=O)NCc3c(F)cc(C)cc3F)c(=O)c(O)c3n2[C@@]12CCCCN(C2)C3=O.CO[C@@H]1c2c(C(=O)NCc3c(F)cc(C)cc3F)c(=O)c(O)c3n2[C@]2(CCCCN(C2)C3=O)[C@H]1OC.CO[C@H]1C[C@@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@H]1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23
InChIInChI=1S/2C25H27F2N3O6.4C24H25F2N3O5/c2*1-12-8-14(26)13(15(27)9-12)10-28-23(33)16-17-21(35-2)22(36-3)25-6-4-5-7-29(11-25)24(34)18(30(17)25)20(32)19(16)31;4*1-12-7-14(25)13(15(26)8-12)10-27-22(32)17-18-16(34-2)9-24-5-3-4-6-28(11-24)23(33)19(29(18)24)21(31)20(17)30/h2*8-9,21-22,32H,4-7,10-11H2,1-3H3,(H,28,33);4*7-8,16,31H,3-6,9-11H2,1-2H3,(H,27,32)/t2*21-,22+,25+;2*16-,24+;2*16-,24-/m101010/s1
InChIKeySJASPDAWEWKEGC-KWORIOKJSA-N
XLogP14.23
TPSA623.68 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002900.91
LogP ≤ 514.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide with MolForge

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Related Compounds

(1R,2R,3R)-7-hydroxy-2,3-dimethoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 159809656
(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 156840929
(1R,3S)-N-[(2,4-difluorophenyl)methyl]-3,7-dihydroxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 156840958
(1S)-7-hydroxy-3-(hydroxymethyl)-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;bis((1S)-3-(hydroxymethyl)-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide);(1S)-3-(hydroxymethyl)-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;(1S)-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 160650526
3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 161375838
(1S)-1-ethyl-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145985
(1S)-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 162465967
2,9-dihydroxy-4,6-dimethyl-7,10-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 148900004
5-iodo-3-methoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 157055921
(1S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-12-fluoro-6-hydroxy-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6,12-triene-4-carboxamide
CID 159132815
(1R,13R)-N-[(2-fluoro-4-methylphenyl)methyl]-6-hydroxy-5,8-dioxo-2,9-diazatetracyclo[7.5.1.01,13.02,7]pentadeca-3,6-diene-4-carboxamide
CID 161499583
6-hydroxy-1-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;1-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 159784918

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
The IUPAC name of (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide (CID 160849239) is (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide.
What is the SMILES notation for (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
The canonical SMILES for (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide is CO[C@@H]1C[C@@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@@H]1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@@H]1[C@@H](OC)c2c(C(=O)NCc3c(F)cc(C)cc3F)c(=O)c(O)c3n2[C@@]12CCCCN(C2)C3=O.CO[C@@H]1c2c(C(=O)NCc3c(F)cc(C)cc3F)c(=O)c(O)c3n2[C@]2(CCCCN(C2)C3=O)[C@H]1OC.CO[C@H]1C[C@@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.CO[C@H]1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(C)cc4F)c1n23.
What is the InChIKey of (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
The InChIKey is SJASPDAWEWKEGC-KWORIOKJSA-N. The full InChI is InChI=1S/2C25H27F2N3O6.4C24H25F2N3O5/c2*1-12-8-14(26)13(15(27)9-12)10-28-23(33)16-17-21(35-2)22(36-3)25-6-4-5-7-29(11-25)24(34)18(30(17)25)20(32)19(16)31;4*1-12-7-14(25)13(15(26)8-12)10-27-22(32)17-18-16(34-2)9-24-5-3-4-6-28(11-24)23(33)19(29(18)24)21(31)20(17)30/h2*8-9,21-22,32H,4-7,10-11H2,1-3H3,(H,28,33);4*7-8,16,31H,3-6,9-11H2,1-2H3,(H,27,32)/t2*21-,22+,25+;2*16-,24+;2*16-,24-/m101010/s1.
What are the key properties of (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide has a molecular weight of 2900.91 g/mol, XLogP of 14.23, 26 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide is sourced from PubChem (CID 160849239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).