(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile

C136H139N35O6 — CID 159520582

IUPAC(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1C2N1C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CCN21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CN21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN1CCC21
InChIInChI=1S/3C23H24N6O.C23H23N5O.2C22H22N6O/c1-12-5-6-15-16(7-12)13(2)30-20-8-14(11-26-23(20)25)21-17(9-18-22(15)28(18)3)27-29(4)19(21)10-24;1-13-4-5-19-17(8-13)14(2)30-21-9-15(12-26-23(21)25)22-18(10-16-6-7-29(16)19)27-28(3)20(22)11-24;1-13-4-5-16-17(8-13)14(2)30-21-9-15(11-26-23(21)25)22-18(12-29-7-6-19(16)29)27-28(3)20(22)10-24;1-12-4-5-16-17(6-12)13(2)29-21-9-15(11-26-23(21)25)22-19(8-14-7-18(14)16)27-28(3)20(22)10-24;1-12-4-5-18-16(6-12)13(2)29-20-7-14(10-25-22(20)24)21-17(8-15-11-28(15)18)26-27(3)19(21)9-23;1-12-4-5-15-16(6-12)13(2)29-20-7-14(9-25-22(20)24)21-17(10-28-11-19(15)28)26-27(3)18(21)8-23/h5-8,11,13,18,22H,9H2,1-4H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-5,8-9,11,14,19H,6-7,12H2,1-3H3,(H2,25,26);4-6,9,11,13-14,18H,7-8H2,1-3H3,(H2,25,26);4-7,10,13,15H,8,11H2,1-3H3,(H2,24,25);4-7,9,13,19H,10-11H2,1-3H3,(H2,24,25)/t13-,18?,22?,28?;14-,16?;14-,19?;13-,14?,18?;13-,15?,28?;13-,19?,28?/m111111/s1
InChIKeyMBTBGKDOWJKZEW-SDDZMYOQSA-N
MW2359.85 g/mol
LogP20.89
Rot. Bonds

About (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile

(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile (PubChem CID 159520582) has the molecular formula C136H139N35O6 and a molecular weight of 2359.85 g/mol. Its IUPAC name is (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile.

Molecular Properties

Compound Name(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile
PubChem CID159520582
Molecular FormulaC136H139N35O6
Molecular Weight2359.85 g/mol
Exact Mass2358.16
IUPAC Name(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1C2N1C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CCN21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CN21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN1CCC21
InChIInChI=1S/3C23H24N6O.C23H23N5O.2C22H22N6O/c1-12-5-6-15-16(7-12)13(2)30-20-8-14(11-26-23(20)25)21-17(9-18-22(15)28(18)3)27-29(4)19(21)10-24;1-13-4-5-19-17(8-13)14(2)30-21-9-15(12-26-23(21)25)22-18(10-16-6-7-29(16)19)27-28(3)20(22)11-24;1-13-4-5-16-17(8-13)14(2)30-21-9-15(11-26-23(21)25)22-18(12-29-7-6-19(16)29)27-28(3)20(22)10-24;1-12-4-5-16-17(6-12)13(2)29-21-9-15(11-26-23(21)25)22-19(8-14-7-18(14)16)27-28(3)20(22)10-24;1-12-4-5-18-16(6-12)13(2)29-20-7-14(10-25-22(20)24)21-17(8-15-11-28(15)18)26-27(3)19(21)9-23;1-12-4-5-15-16(6-12)13(2)29-20-7-14(9-25-22(20)24)21-17(10-28-11-19(15)28)26-27(3)18(21)8-23/h5-8,11,13,18,22H,9H2,1-4H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-5,8-9,11,14,19H,6-7,12H2,1-3H3,(H2,25,26);4-6,9,11,13-14,18H,7-8H2,1-3H3,(H2,25,26);4-7,10,13,15H,8,11H2,1-3H3,(H2,24,25);4-7,9,13,19H,10-11H2,1-3H3,(H2,24,25)/t13-,18?,22?,28?;14-,16?;14-,19?;13-,14?,18?;13-,15?,28?;13-,19?,28?/m111111/s1
InChIKeyMBTBGKDOWJKZEW-SDDZMYOQSA-N
XLogP20.89
TPSA554.01 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002359.85
LogP ≤ 520.89
H-Bond Donors ≤ 56
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-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-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-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile?
The IUPAC name of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile (CID 159520582) is (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile.
What is the SMILES notation for (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile?
The canonical SMILES for (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1C2N1C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CCN21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CN21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN1CC21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN1CCC21.
What is the InChIKey of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile?
The InChIKey is MBTBGKDOWJKZEW-SDDZMYOQSA-N. The full InChI is InChI=1S/3C23H24N6O.C23H23N5O.2C22H22N6O/c1-12-5-6-15-16(7-12)13(2)30-20-8-14(11-26-23(20)25)21-17(9-18-22(15)28(18)3)27-29(4)19(21)10-24;1-13-4-5-19-17(8-13)14(2)30-21-9-15(12-26-23(21)25)22-18(10-16-6-7-29(16)19)27-28(3)20(22)11-24;1-13-4-5-16-17(8-13)14(2)30-21-9-15(11-26-23(21)25)22-18(12-29-7-6-19(16)29)27-28(3)20(22)10-24;1-12-4-5-16-17(6-12)13(2)29-21-9-15(11-26-23(21)25)22-19(8-14-7-18(14)16)27-28(3)20(22)10-24;1-12-4-5-18-16(6-12)13(2)29-20-7-14(10-25-22(20)24)21-17(8-15-11-28(15)18)26-27(3)19(21)9-23;1-12-4-5-15-16(6-12)13(2)29-20-7-14(9-25-22(20)24)21-17(10-28-11-19(15)28)26-27(3)18(21)8-23/h5-8,11,13,18,22H,9H2,1-4H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-5,8-9,11,14,19H,6-7,12H2,1-3H3,(H2,25,26);4-6,9,11,13-14,18H,7-8H2,1-3H3,(H2,25,26);4-7,10,13,15H,8,11H2,1-3H3,(H2,24,25);4-7,9,13,19H,10-11H2,1-3H3,(H2,24,25)/t13-,18?,22?,28?;14-,16?;14-,19?;13-,14?,18?;13-,15?,28?;13-,19?,28?/m111111/s1.
What are the key properties of (17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile?
(17R)-20-amino-4,9,14,17-tetramethyl-18-oxa-4,5,9,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile has a molecular weight of 2359.85 g/mol, XLogP of 20.89, 0 rotatable bonds, 6 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-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22-tetrazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,10,21-tetrazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(17R)-20-amino-4,14,17-trimethyl-18-oxa-4,5,21-triazapentacyclo[17.3.1.02,6.08,10.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile is sourced from PubChem (CID 159520582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).