(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone

C62H83N11O9 — CID 161141823

IUPAC(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
SMILESCC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N2CCC[C@H](N2)C(=O)N[C@H](C)c2ccc3cnc(cc3c2)/C=C/C(C)(C)C(=O)N1C.CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N2CCC[C@H](N2)C(=O)O[C@H](C)c2ccc3cnc(cc3c2)/C=C/C(C)(C)C(=O)N1C
InChIInChI=1S/C31H42N6O4.C31H41N5O5/c1-18(2)26-28(39)34-20(4)29(40)37-14-8-9-25(35-37)27(38)33-19(3)21-10-11-22-17-32-24(16-23(22)15-21)12-13-31(5,6)30(41)36(26)7;1-18(2)26-27(37)33-19(3)28(38)36-14-8-9-25(34-36)29(39)41-20(4)21-10-11-22-17-32-24(16-23(22)15-21)12-13-31(5,6)30(40)35(26)7/h10-13,15-20,25-26,35H,8-9,14H2,1-7H3,(H,33,38)(H,34,39);10-13,15-20,25-26,34H,8-9,14H2,1-7H3,(H,33,37)/b2*13-12+/t19-,20+,25+,26+;19-,20+,25-,26-/m10/s1
InChIKeyUNNVIEWHQGZTNS-MJZNVFCWSA-N
MW1126.41 g/mol
LogP6.32
Rot. Bonds2

About (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone

(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (PubChem CID 161141823) has the molecular formula C62H83N11O9 and a molecular weight of 1126.41 g/mol. Its IUPAC name is (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone.

Molecular Properties

Compound Name(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
PubChem CID161141823
Molecular FormulaC62H83N11O9
Molecular Weight1126.41 g/mol
Exact Mass1125.64
IUPAC Name(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
SMILESCC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N2CCC[C@H](N2)C(=O)N[C@H](C)c2ccc3cnc(cc3c2)/C=C/C(C)(C)C(=O)N1C.CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N2CCC[C@H](N2)C(=O)O[C@H](C)c2ccc3cnc(cc3c2)/C=C/C(C)(C)C(=O)N1C
InChIInChI=1S/C31H42N6O4.C31H41N5O5/c1-18(2)26-28(39)34-20(4)29(40)37-14-8-9-25(35-37)27(38)33-19(3)21-10-11-22-17-32-24(16-23(22)15-21)12-13-31(5,6)30(41)36(26)7;1-18(2)26-27(37)33-19(3)28(38)36-14-8-9-25(34-36)29(39)41-20(4)21-10-11-22-17-32-24(16-23(22)15-21)12-13-31(5,6)30(40)35(26)7/h10-13,15-20,25-26,35H,8-9,14H2,1-7H3,(H,33,38)(H,34,39);10-13,15-20,25-26,34H,8-9,14H2,1-7H3,(H,33,37)/b2*13-12+/t19-,20+,25+,26+;19-,20+,25-,26-/m10/s1
InChIKeyUNNVIEWHQGZTNS-MJZNVFCWSA-N
XLogP6.32
TPSA244.68 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001126.41
LogP ≤ 56.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
The IUPAC name of (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (CID 161141823) is (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone.
What is the SMILES notation for (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
The canonical SMILES for (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone is CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N2CCC[C@H](N2)C(=O)N[C@H](C)c2ccc3cnc(cc3c2)/C=C/C(C)(C)C(=O)N1C.CC(C)[C@H]1C(=O)N[C@@H](C)C(=O)N2CCC[C@H](N2)C(=O)O[C@H](C)c2ccc3cnc(cc3c2)/C=C/C(C)(C)C(=O)N1C.
What is the InChIKey of (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
The InChIKey is UNNVIEWHQGZTNS-MJZNVFCWSA-N. The full InChI is InChI=1S/C31H42N6O4.C31H41N5O5/c1-18(2)26-28(39)34-20(4)29(40)37-14-8-9-25(35-37)27(38)33-19(3)21-10-11-22-17-32-24(16-23(22)15-21)12-13-31(5,6)30(41)36(26)7;1-18(2)26-27(37)33-19(3)28(38)36-14-8-9-25(34-36)29(39)41-20(4)21-10-11-22-17-32-24(16-23(22)15-21)12-13-31(5,6)30(40)35(26)7/h10-13,15-20,25-26,35H,8-9,14H2,1-7H3,(H,33,38)(H,34,39);10-13,15-20,25-26,34H,8-9,14H2,1-7H3,(H,33,37)/b2*13-12+/t19-,20+,25+,26+;19-,20+,25-,26-/m10/s1.
What are the key properties of (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone?
(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone has a molecular weight of 1126.41 g/mol, XLogP of 6.32, 2 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3,9,12,15,21,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone;(2R,5S,11S,14S,18E)-2,11,15,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,21,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone is sourced from PubChem (CID 161141823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).