(16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one

C85H78F4N24O8 — CID 158263046

IUPAC(16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one
SMILES[2H]C([2H])([2H])N1Cc2nn(C)c([N+]#[C-])c2-c2cnc(N)c(c2)O[C@@]([2H])(C([2H])([2H])[2H])c2cc(F)ccc2C1=O.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])C([2H])([2H])N(C([2H])([2H])[2H])C(=O)c1c([2H])c(C)c(F)c([2H])c1[C@@]([2H])(C)O2.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])CN(C([2H])([2H])[2H])C(=O)c1c([2H])c([2H])c(F)c([2H])c1[C@@H](C)O2.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])CN(C)C(=O)c1c([2H])c([2H])c(F)c([2H])c1[C@@H](C)O2
InChIInChI=1S/C22H21FN6O2.3C21H19FN6O2/c1-11-6-15-14(8-16(11)23)12(2)31-18-7-13(9-26-20(18)24)19-17(10-28(4)22(15)30)27-29(5)21(19)25-3;3*1-11-15-8-13(22)5-6-14(15)21(29)27(3)10-16-18(20(24-2)28(4)26-16)12-7-17(30-11)19(23)25-9-12/h6-9,12H,10H2,1-2,4-5H3,(H2,24,26);3*5-9,11H,10H2,1,3-4H3,(H2,23,25)/t12-;3*11-/m1110/s1/i4D3,6D,7D,8D,9D,10D2,12D;3D3,5D,6D,7D,8D,9D;5D,6D,7D,8D,9D;1D3,3D3,11D
InChIKeyGICMSOKSFNLLRU-MFZYEIIDSA-N
MW1669.89 g/mol
LogP14.23
Rot. Bonds4

About (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one

(16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one (PubChem CID 158263046) has the molecular formula C85H78F4N24O8 and a molecular weight of 1669.89 g/mol. Its IUPAC name is (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one.

Molecular Properties

Compound Name(16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one
PubChem CID158263046
Molecular FormulaC85H78F4N24O8
Molecular Weight1669.89 g/mol
Exact Mass1668.83
IUPAC Name(16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one
SMILES[2H]C([2H])([2H])N1Cc2nn(C)c([N+]#[C-])c2-c2cnc(N)c(c2)O[C@@]([2H])(C([2H])([2H])[2H])c2cc(F)ccc2C1=O.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])C([2H])([2H])N(C([2H])([2H])[2H])C(=O)c1c([2H])c(C)c(F)c([2H])c1[C@@]([2H])(C)O2.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])CN(C([2H])([2H])[2H])C(=O)c1c([2H])c([2H])c(F)c([2H])c1[C@@H](C)O2.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])CN(C)C(=O)c1c([2H])c([2H])c(F)c([2H])c1[C@@H](C)O2
InChIInChI=1S/C22H21FN6O2.3C21H19FN6O2/c1-11-6-15-14(8-16(11)23)12(2)31-18-7-13(9-26-20(18)24)19-17(10-28(4)22(15)30)27-29(5)21(19)25-3;3*1-11-15-8-13(22)5-6-14(15)21(29)27(3)10-16-18(20(24-2)28(4)26-16)12-7-17(30-11)19(23)25-9-12/h6-9,12H,10H2,1-2,4-5H3,(H2,24,26);3*5-9,11H,10H2,1,3-4H3,(H2,23,25)/t12-;3*11-/m1110/s1/i4D3,6D,7D,8D,9D,10D2,12D;3D3,5D,6D,7D,8D,9D;5D,6D,7D,8D,9D;1D3,3D3,11D
InChIKeyGICMSOKSFNLLRU-MFZYEIIDSA-N
XLogP14.23
TPSA362.52 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds4
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001669.89
LogP ≤ 514.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one?
The IUPAC name of (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one (CID 158263046) is (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one.
What is the SMILES notation for (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one?
The canonical SMILES for (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one is [2H]C([2H])([2H])N1Cc2nn(C)c([N+]#[C-])c2-c2cnc(N)c(c2)O[C@@]([2H])(C([2H])([2H])[2H])c2cc(F)ccc2C1=O.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])C([2H])([2H])N(C([2H])([2H])[2H])C(=O)c1c([2H])c(C)c(F)c([2H])c1[C@@]([2H])(C)O2.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])CN(C([2H])([2H])[2H])C(=O)c1c([2H])c([2H])c(F)c([2H])c1[C@@H](C)O2.[2H]c1nc(N)c2c([2H])c1-c1c(nn(C)c1[N+]#[C-])CN(C)C(=O)c1c([2H])c([2H])c(F)c([2H])c1[C@@H](C)O2.
What is the InChIKey of (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one?
The InChIKey is GICMSOKSFNLLRU-MFZYEIIDSA-N. The full InChI is InChI=1S/C22H21FN6O2.3C21H19FN6O2/c1-11-6-15-14(8-16(11)23)12(2)31-18-7-13(9-26-20(18)24)19-17(10-28(4)22(15)30)27-29(5)21(19)25-3;3*1-11-15-8-13(22)5-6-14(15)21(29)27(3)10-16-18(20(24-2)28(4)26-16)12-7-17(30-11)19(23)25-9-12/h6-9,12H,10H2,1-2,4-5H3,(H2,24,26);3*5-9,11H,10H2,1,3-4H3,(H2,23,25)/t12-;3*11-/m1110/s1/i4D3,6D,7D,8D,9D,10D2,12D;3D3,5D,6D,7D,8D,9D;5D,6D,7D,8D,9D;1D3,3D3,11D.
What are the key properties of (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one?
(16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one has a molecular weight of 1669.89 g/mol, XLogP of 14.23, 4 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (16S)-19-amino-16-deuterio-13-fluoro-3-isocyano-4-methyl-8,16-bis(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-7,7,11,14,16,21,22-heptadeuterio-13-fluoro-3-isocyano-4,12,16-trimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,16-dimethyl-8-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one;(16R)-19-amino-11,12,14,21,22-pentadeuterio-13-fluoro-3-isocyano-4,8,16-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaen-9-one is sourced from PubChem (CID 158263046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).