(19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile

C111H107N43O8 — CID 157054064

IUPAC(19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC=NN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cc1cc(=O)n(C)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cc1nn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1c(C)nc(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2cc(=O)n1C
InChIInChI=1S/2C23H22N8O2.C22H21N9O2.C22H21N9O.C21H21N9O/c1-12-5-6-18-15(7-12)13(2)33-23-22(25)26-11-17(27-23)21-16(28-29(3)19(21)10-24)8-14-9-20(32)30(4)31(14)18;1-12-5-6-14-15(7-12)13(2)33-23-22(25)26-10-16(27-23)21-17(28-29(3)19(21)9-24)11-31-18(14)8-20(32)30(31)4;1-11-5-6-17-14(7-11)12(2)33-21-20(24)25-9-15(27-21)19-16(28-29(4)18(19)8-23)10-30-13(3)26-22(32)31(17)30;1-11-5-6-13-14(7-11)12(2)32-22-21(24)25-10-17(26-22)19-15(27-30(3)18(19)9-23)8-16-20(13)29-31(4)28-16;1-12-4-5-17-14(8-12)13(2)31-21-20(23)24-10-15(26-21)19-16(27-28(3)18(19)9-22)11-29-7-6-25-30(17)29/h5-7,9,11,13H,8H2,1-4H3,(H2,25,26);5-8,10,13H,11H2,1-4H3,(H2,25,26);5-7,9,12H,10H2,1-4H3,(H2,24,25);5-7,10,12H,8H2,1-4H3,(H2,24,25);4-6,8,10,13H,7,11H2,1-3H3,(H2,23,24)/t2*13-;2*12-;13-/m11111/s1
InChIKeyAANSARNPEQAPQW-BIIFTTSPSA-N
MW2171.37 g/mol
LogP11.07
Rot. Bonds

About (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile

(19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile (PubChem CID 157054064) has the molecular formula C111H107N43O8 and a molecular weight of 2171.37 g/mol. Its IUPAC name is (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile.

Molecular Properties

Compound Name(19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile
PubChem CID157054064
Molecular FormulaC111H107N43O8
Molecular Weight2171.37 g/mol
Exact Mass2169.93
IUPAC Name(19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC=NN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cc1cc(=O)n(C)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cc1nn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1c(C)nc(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2cc(=O)n1C
InChIInChI=1S/2C23H22N8O2.C22H21N9O2.C22H21N9O.C21H21N9O/c1-12-5-6-18-15(7-12)13(2)33-23-22(25)26-11-17(27-23)21-16(28-29(3)19(21)10-24)8-14-9-20(32)30(4)31(14)18;1-12-5-6-14-15(7-12)13(2)33-23-22(25)26-10-16(27-23)21-17(28-29(3)19(21)9-24)11-31-18(14)8-20(32)30(31)4;1-11-5-6-17-14(7-11)12(2)33-21-20(24)25-9-15(27-21)19-16(28-29(4)18(19)8-23)10-30-13(3)26-22(32)31(17)30;1-11-5-6-13-14(7-11)12(2)32-22-21(24)25-10-17(26-22)19-15(27-30(3)18(19)9-23)8-16-20(13)29-31(4)28-16;1-12-4-5-17-14(8-12)13(2)31-21-20(23)24-10-15(26-21)19-16(27-28(3)18(19)9-22)11-29-7-6-25-30(17)29/h5-7,9,11,13H,8H2,1-4H3,(H2,25,26);5-8,10,13H,11H2,1-4H3,(H2,25,26);5-7,9,12H,10H2,1-4H3,(H2,24,25);5-7,10,12H,8H2,1-4H3,(H2,24,25);4-6,8,10,13H,7,11H2,1-3H3,(H2,23,24)/t2*13-;2*12-;13-/m11111/s1
InChIKeyAANSARNPEQAPQW-BIIFTTSPSA-N
XLogP11.07
TPSA656.43 Ų
H-Bond Donors5
H-Bond Acceptors51
Rotatable Bonds
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002171.37
LogP ≤ 511.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1051

Analyze (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile?
The IUPAC name of (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile (CID 157054064) is (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile.
What is the SMILES notation for (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile?
The canonical SMILES for (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC=NN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cc1cc(=O)n(C)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cc1nn(C)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1c(C)nc(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2cc(=O)n1C.
What is the InChIKey of (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile?
The InChIKey is AANSARNPEQAPQW-BIIFTTSPSA-N. The full InChI is InChI=1S/2C23H22N8O2.C22H21N9O2.C22H21N9O.C21H21N9O/c1-12-5-6-18-15(7-12)13(2)33-23-22(25)26-11-17(27-23)21-16(28-29(3)19(21)10-24)8-14-9-20(32)30(4)31(14)18;1-12-5-6-14-15(7-12)13(2)33-23-22(25)26-10-16(27-23)21-17(28-29(3)19(21)9-24)11-31-18(14)8-20(32)30(31)4;1-11-5-6-17-14(7-11)12(2)33-21-20(24)25-9-15(27-21)19-16(28-29(4)18(19)8-23)10-30-13(3)26-22(32)31(17)30;1-11-5-6-13-14(7-11)12(2)32-22-21(24)25-10-17(26-22)19-15(27-30(3)18(19)9-23)8-16-20(13)29-31(4)28-16;1-12-4-5-17-14(8-12)13(2)31-21-20(23)24-10-15(26-21)19-16(27-28(3)18(19)9-22)11-29-7-6-25-30(17)29/h5-7,9,11,13H,8H2,1-4H3,(H2,25,26);5-8,10,13H,11H2,1-4H3,(H2,25,26);5-7,9,12H,10H2,1-4H3,(H2,24,25);5-7,10,12H,8H2,1-4H3,(H2,24,25);4-6,8,10,13H,7,11H2,1-3H3,(H2,23,24)/t2*13-;2*12-;13-/m11111/s1.
What are the key properties of (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile?
(19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile has a molecular weight of 2171.37 g/mol, XLogP of 11.07, 0 rotatable bonds, 5 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-22-amino-4,10,16,19-tetramethyl-20-oxa-4,5,9,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-11-oxo-20-oxa-4,5,8,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,9,16,19-tetramethyl-10-oxo-20-oxa-4,5,8,9,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,11,12,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,11,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,10,13(18),14,16,21(25),22-nonaene-3-carbonitrile is sourced from PubChem (CID 157054064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).