(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile

C107H106N36O5 — CID 159916792

IUPAC(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1C2N1C.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1nncc1-2
InChIInChI=1S/C22H23N7O.C22H22N6O.C21H19N9O.2C21H21N7O/c1-11-5-6-13-14(7-11)12(2)30-22-21(24)25-10-16(26-22)19-15(8-17-20(13)28(17)3)27-29(4)18(19)9-23;1-11-4-5-14-15(6-11)12(2)29-22-21(24)25-10-18(26-22)20-17(8-13-7-16(13)14)27-28(3)19(20)9-23;1-11-4-5-13-14(6-11)12(2)31-21-20(23)24-8-15(26-21)19-16(27-29(3)17(19)7-22)10-30-18(13)9-25-28-30;1-11-4-5-17-14(6-11)12(2)29-21-20(23)24-9-16(25-21)19-15(7-13-10-28(13)17)26-27(3)18(19)8-22;1-11-4-5-13-14(6-11)12(2)29-21-20(23)24-8-15(25-21)19-16(9-28-10-18(13)28)26-27(3)17(19)7-22/h5-7,10,12,17,20H,8H2,1-4H3,(H2,24,25);4-6,10,12-13,16H,7-8H2,1-3H3,(H2,24,25);4-6,8-9,12H,10H2,1-3H3,(H2,23,24);4-6,9,12-13H,7,10H2,1-3H3,(H2,23,24);4-6,8,12,18H,9-10H2,1-3H3,(H2,23,24)/t12-,17?,20?,28?;12-,13?,16?;12-;12-,13?,28?;12-,18?,28?/m11111/s1
InChIKeyNXWRPKLANDCGIG-ASAPJMOLSA-N
MW1976.27 g/mol
LogP13.70
Rot. Bonds

About (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile

(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile (PubChem CID 159916792) has the molecular formula C107H106N36O5 and a molecular weight of 1976.27 g/mol. Its IUPAC name is (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile.

Molecular Properties

Compound Name(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile
PubChem CID159916792
Molecular FormulaC107H106N36O5
Molecular Weight1976.27 g/mol
Exact Mass1974.91
IUPAC Name(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1C2N1C.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1nncc1-2
InChIInChI=1S/C22H23N7O.C22H22N6O.C21H19N9O.2C21H21N7O/c1-11-5-6-13-14(7-11)12(2)30-22-21(24)25-10-16(26-22)19-15(8-17-20(13)28(17)3)27-29(4)18(19)9-23;1-11-4-5-14-15(6-11)12(2)29-22-21(24)25-10-18(26-22)20-17(8-13-7-16(13)14)27-28(3)19(20)9-23;1-11-4-5-13-14(6-11)12(2)31-21-20(23)24-8-15(26-21)19-16(27-29(3)17(19)7-22)10-30-18(13)9-25-28-30;1-11-4-5-17-14(6-11)12(2)29-21-20(23)24-9-16(25-21)19-15(7-13-10-28(13)17)26-27(3)18(19)8-22;1-11-4-5-13-14(6-11)12(2)29-21-20(23)24-8-15(25-21)19-16(9-28-10-18(13)28)26-27(3)17(19)7-22/h5-7,10,12,17,20H,8H2,1-4H3,(H2,24,25);4-6,10,12-13,16H,7-8H2,1-3H3,(H2,24,25);4-6,8-9,12H,10H2,1-3H3,(H2,23,24);4-6,9,12-13H,7,10H2,1-3H3,(H2,23,24);4-6,8,12,18H,9-10H2,1-3H3,(H2,23,24)/t12-,17?,20?,28?;12-,13?,16?;12-;12-,13?,28?;12-,18?,28?/m11111/s1
InChIKeyNXWRPKLANDCGIG-ASAPJMOLSA-N
XLogP13.70
TPSA552.94 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001976.27
LogP ≤ 513.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile?
The IUPAC name of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile (CID 159916792) is (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile.
What is the SMILES notation for (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile?
The canonical SMILES for (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1C2N1C.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)Cn1nncc1-2.
What is the InChIKey of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile?
The InChIKey is NXWRPKLANDCGIG-ASAPJMOLSA-N. The full InChI is InChI=1S/C22H23N7O.C22H22N6O.C21H19N9O.2C21H21N7O/c1-11-5-6-13-14(7-11)12(2)30-22-21(24)25-10-16(26-22)19-15(8-17-20(13)28(17)3)27-29(4)18(19)9-23;1-11-4-5-14-15(6-11)12(2)29-22-21(24)25-10-18(26-22)20-17(8-13-7-16(13)14)27-28(3)19(20)9-23;1-11-4-5-13-14(6-11)12(2)31-21-20(23)24-8-15(26-21)19-16(27-29(3)17(19)7-22)10-30-18(13)9-25-28-30;1-11-4-5-17-14(6-11)12(2)29-21-20(23)24-9-16(25-21)19-15(7-13-10-28(13)17)26-27(3)18(19)8-22;1-11-4-5-13-14(6-11)12(2)29-21-20(23)24-8-15(25-21)19-16(9-28-10-18(13)28)26-27(3)17(19)7-22/h5-7,10,12,17,20H,8H2,1-4H3,(H2,24,25);4-6,10,12-13,16H,7-8H2,1-3H3,(H2,24,25);4-6,8-9,12H,10H2,1-3H3,(H2,23,24);4-6,9,12-13H,7,10H2,1-3H3,(H2,23,24);4-6,8,12,18H,9-10H2,1-3H3,(H2,23,24)/t12-,17?,20?,28?;12-,13?,16?;12-;12-,13?,28?;12-,18?,28?/m11111/s1.
What are the key properties of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile?
(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile has a molecular weight of 1976.27 g/mol, XLogP of 13.70, 0 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-20-oxa-4,5,8,9,10,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21,23-pentazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21,23-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile is sourced from PubChem (CID 159916792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).