(16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile

C88H100N27O10PS3 — CID 162214925

IUPAC(16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
SMILESCN=S1(=O)Cc2ccc(C)cc2[C@@H](C)Oc2cc(nnc2N)-c2c(nn(C)c2C#N)C1.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCP2(C)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=NCC(C)(C)O)C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=NCCO)C2
InChIInChI=1S/C24H29N7O3S.C22H25N7O3S.C21H23N7O2S.C21H23N6O2P/c1-14-6-7-16-11-35(33,27-13-24(3,4)32)12-19-22(20(10-25)31(5)30-19)18-9-21(23(26)29-28-18)34-15(2)17(16)8-14;1-13-4-5-15-11-33(31,25-6-7-30)12-18-21(19(10-23)29(3)28-18)17-9-20(22(24)27-26-17)32-14(2)16(15)8-13;1-12-5-6-14-10-31(29,24-3)11-17-20(18(9-22)28(4)27-17)16-8-19(21(23)26-25-16)30-13(2)15(14)7-12;1-12-5-6-19-14(9-12)13(2)29-18-10-16(24-25-21(18)23)20-15(7-8-30(19,4)28)26-27(3)17(20)11-22/h6-9,15,32H,11-13H2,1-5H3,(H2,26,29);4-5,8-9,14,30H,6-7,11-12H2,1-3H3,(H2,24,27);5-8,13H,10-11H2,1-4H3,(H2,23,26);5-6,9-10,13H,7-8H2,1-4H3,(H2,23,25)/t15-,35?;14-,33?;13-,31?;13-,30?/m1111/s1
InChIKeyZTIHWUIMZNWSKE-LBRFEOLYSA-N
MW1823.12 g/mol
LogP11.13
Rot. Bonds4

About (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile

(16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile (PubChem CID 162214925) has the molecular formula C88H100N27O10PS3 and a molecular weight of 1823.12 g/mol. Its IUPAC name is (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile.

Molecular Properties

Compound Name(16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
PubChem CID162214925
Molecular FormulaC88H100N27O10PS3
Molecular Weight1823.12 g/mol
Exact Mass1821.70
IUPAC Name(16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
SMILESCN=S1(=O)Cc2ccc(C)cc2[C@@H](C)Oc2cc(nnc2N)-c2c(nn(C)c2C#N)C1.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCP2(C)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=NCC(C)(C)O)C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=NCCO)C2
InChIInChI=1S/C24H29N7O3S.C22H25N7O3S.C21H23N7O2S.C21H23N6O2P/c1-14-6-7-16-11-35(33,27-13-24(3,4)32)12-19-22(20(10-25)31(5)30-19)18-9-21(23(26)29-28-18)34-15(2)17(16)8-14;1-13-4-5-15-11-33(31,25-6-7-30)12-18-21(19(10-23)29(3)28-18)17-9-20(22(24)27-26-17)32-14(2)16(15)8-13;1-12-5-6-14-10-31(29,24-3)11-17-20(18(9-22)28(4)27-17)16-8-19(21(23)26-25-16)30-13(2)15(14)7-12;1-12-5-6-19-14(9-12)13(2)29-18-10-16(24-25-21(18)23)20-15(7-8-30(19,4)28)26-27(3)17(20)11-22/h6-9,15,32H,11-13H2,1-5H3,(H2,26,29);4-5,8-9,14,30H,6-7,11-12H2,1-3H3,(H2,24,27);5-8,13H,10-11H2,1-4H3,(H2,23,26);5-6,9-10,13H,7-8H2,1-4H3,(H2,23,25)/t15-,35?;14-,33?;13-,31?;13-,30?/m1111/s1
InChIKeyZTIHWUIMZNWSKE-LBRFEOLYSA-N
XLogP11.13
TPSA556.38 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds4
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001823.12
LogP ≤ 511.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile?
The IUPAC name of (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile (CID 162214925) is (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile.
What is the SMILES notation for (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile?
The canonical SMILES for (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile is CN=S1(=O)Cc2ccc(C)cc2[C@@H](C)Oc2cc(nnc2N)-c2c(nn(C)c2C#N)C1.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCP2(C)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=NCC(C)(C)O)C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=NCCO)C2.
What is the InChIKey of (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile?
The InChIKey is ZTIHWUIMZNWSKE-LBRFEOLYSA-N. The full InChI is InChI=1S/C24H29N7O3S.C22H25N7O3S.C21H23N7O2S.C21H23N6O2P/c1-14-6-7-16-11-35(33,27-13-24(3,4)32)12-19-22(20(10-25)31(5)30-19)18-9-21(23(26)29-28-18)34-15(2)17(16)8-14;1-13-4-5-15-11-33(31,25-6-7-30)12-18-21(19(10-23)29(3)28-18)17-9-20(22(24)27-26-17)32-14(2)16(15)8-13;1-12-5-6-14-10-31(29,24-3)11-17-20(18(9-22)28(4)27-17)16-8-19(21(23)26-25-16)30-13(2)15(14)7-12;1-12-5-6-19-14(9-12)13(2)29-18-10-16(24-25-21(18)23)20-15(7-8-30(19,4)28)26-27(3)17(20)11-22/h6-9,15,32H,11-13H2,1-5H3,(H2,26,29);4-5,8-9,14,30H,6-7,11-12H2,1-3H3,(H2,24,27);5-8,13H,10-11H2,1-4H3,(H2,23,26);5-6,9-10,13H,7-8H2,1-4H3,(H2,23,25)/t15-,35?;14-,33?;13-,31?;13-,30?/m1111/s1.
What are the key properties of (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile?
(16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile has a molecular weight of 1823.12 g/mol, XLogP of 11.13, 4 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-19-amino-8-(2-hydroxyethylimino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8-(2-hydroxy-2-methylpropyl)imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,9,13,16-tetramethyl-9-oxo-17-oxa-4,5,20,21-tetraza-9λ5-phosphatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile is sourced from PubChem (CID 162214925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).