(3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide

C39H51N5O9S — CID 59571217

About (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide

(3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide (PubChem CID 59571217) has the molecular formula C39H51N5O9S and a molecular weight of 765.93 g/mol. Its IUPAC name is (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide.

Molecular Properties

• Compound Name: (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide
• PubChem CID: 59571217
• Molecular Formula: C39H51N5O9S
• Molecular Weight: 765.93 g/mol
• Exact Mass: 765.34
• IUPAC Name: (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide
• SMILES: C[C@@H]1CCC/C=C/c2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@@H]4/C=C\CCCCC[C@H](NC(=O)OC1)C(=O)N3C2
• InChI: InChI=1S/C39H51N5O9S/c1-25-11-6-5-7-12-26-13-10-14-27-21-43(23-31(26)27)38(49)53-29-19-33-34(45)41-39(36(47)42-54(50,51)30-17-18-30)20-28(39)15-8-3-2-4-9-16-32(35(46)44(33)22-29)40-37(48)52-24-25/h7-8,10,12-15,25,28-30,32-33H,2-6,9,11,16-24H2,1H3,(H,40,48)(H,41,45)(H,42,47)/b12-7+,15-8-/t25-,28+,29-,32+,33+,39-/m1/s1
• InChIKey: VVYMMHKNRXBTQR-SIROHPAMSA-N
• XLogP: 4.04
• TPSA: 180.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	765.93
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

The IUPAC name of (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide (CID 59571217) is (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide.

What is the SMILES notation for (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

The canonical SMILES for (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide is C[C@@H]1CCC/C=C/c2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@@H]4/C=C\CCCCC[C@H](NC(=O)OC1)C(=O)N3C2.

What is the InChIKey of (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

The InChIKey is VVYMMHKNRXBTQR-SIROHPAMSA-N. The full InChI is InChI=1S/C39H51N5O9S/c1-25-11-6-5-7-12-26-13-10-14-27-21-43(23-31(26)27)38(49)53-29-19-33-34(45)41-39(36(47)42-54(50,51)30-17-18-30)20-28(39)15-8-3-2-4-9-16-32(35(46)44(33)22-29)40-37(48)52-24-25/h7-8,10,12-15,25,28-30,32-33H,2-6,9,11,16-24H2,1H3,(H,40,48)(H,41,45)(H,42,47)/b12-7+,15-8-/t25-,28+,29-,32+,33+,39-/m1/s1.

What are the key properties of (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide?

(3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide has a molecular weight of 765.93 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,14E,19R,24S,30Z,32R,34R,37S)-N-cyclopropylsulfonyl-19-methyl-5,22,36,38-tetraoxo-4,21-dioxa-1,6,23,35-tetrazahexacyclo[22.13.1.13,37.16,9.08,13.032,34]tetraconta-8,10,12,14,30-pentaene-34-carboxamide is sourced from PubChem (CID 59571217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).