(3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide

C38H53N5O9S — CID 59571156

About (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide

(3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide (PubChem CID 59571156) has the molecular formula C38H53N5O9S and a molecular weight of 755.93 g/mol. Its IUPAC name is (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide.

Molecular Properties

• Compound Name: (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide
• PubChem CID: 59571156
• Molecular Formula: C38H53N5O9S
• Molecular Weight: 755.93 g/mol
• Exact Mass: 755.36
• IUPAC Name: (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide
• SMILES: C[C@H]1CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4CCCCCCC[C@H](NC(=O)OC1)C(=O)N3C2
• InChI: InChI=1S/C38H53N5O9S/c1-24-10-7-8-11-25-12-9-13-26-20-42(22-30(25)26)37(48)52-28-18-32-33(44)40-38(35(46)41-53(49,50)29-16-17-29)19-27(38)14-5-3-2-4-6-15-31(34(45)43(32)21-28)39-36(47)51-23-24/h9,12-13,24,27-29,31-32H,2-8,10-11,14-23H2,1H3,(H,39,47)(H,40,44)(H,41,46)/t24-,27+,28+,31-,32-,38+/m0/s1
• InChIKey: GHRVOAACSTWLHC-FCWZNVIQSA-N
• XLogP: 3.79
• TPSA: 180.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	755.93
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide?

The IUPAC name of (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide (CID 59571156) is (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide.

What is the SMILES notation for (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide?

The canonical SMILES for (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide is C[C@H]1CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4CCCCCCC[C@H](NC(=O)OC1)C(=O)N3C2.

What is the InChIKey of (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide?

The InChIKey is GHRVOAACSTWLHC-FCWZNVIQSA-N. The full InChI is InChI=1S/C38H53N5O9S/c1-24-10-7-8-11-25-12-9-13-26-20-42(22-30(25)26)37(48)52-28-18-32-33(44)40-38(35(46)41-53(49,50)29-16-17-29)19-27(38)14-5-3-2-4-6-15-31(34(45)43(32)21-28)39-36(47)51-23-24/h9,12-13,24,27-29,31-32H,2-8,10-11,14-23H2,1H3,(H,39,47)(H,40,44)(H,41,46)/t24-,27+,28+,31-,32-,38+/m0/s1.

What are the key properties of (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide?

(3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide has a molecular weight of 755.93 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,18S,23S,31R,33R,36S)-N-cyclopropylsulfonyl-18-methyl-5,21,35,37-tetraoxo-4,20-dioxa-1,6,22,34-tetrazahexacyclo[21.13.1.13,36.16,9.08,13.031,33]nonatriaconta-8(13),9,11-triene-33-carboxamide is sourced from PubChem (CID 59571156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).