cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate

C44H55N5O10S — CID 144571333

About cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate

cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate (PubChem CID 144571333) has the molecular formula C44H55N5O10S and a molecular weight of 846.02 g/mol. Its IUPAC name is cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate
• PubChem CID: 144571333
• Molecular Formula: C44H55N5O10S
• Molecular Weight: 846.02 g/mol
• Exact Mass: 845.37
• IUPAC Name: cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate
• SMILES: CC1(S(=O)(=O)NC(=O)[C@@]23CC[C@H]2/C=C\CCCCC[C@H](NC(=O)OC2CCCC2)C(=O)N2C[C@@]4(CCc5c(c(C6CC6)nc6ccc7c(c56)OCO7)O4)C[C@H]2C(=O)N3)CC1
• InChI: InChI=1S/C44H55N5O10S/c1-42(21-22-42)60(54,55)48-40(52)44-20-17-27(44)9-5-3-2-4-6-12-31(46-41(53)58-28-10-7-8-11-28)39(51)49-24-43(23-32(49)38(50)47-44)19-18-29-34-30(15-16-33-37(34)57-25-56-33)45-35(26-13-14-26)36(29)59-43/h5,9,15-16,26-28,31-32H,2-4,6-8,10-14,17-25H2,1H3,(H,46,53)(H,47,50)(H,48,52)/b9-5-/t27-,31+,32+,43-,44-/m1/s1
• InChIKey: HIRIOTVFENXMBA-BZYJAWDESA-N
• XLogP: 5.33
• TPSA: 191.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	846.02
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate?

The IUPAC name of cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate (CID 144571333) is cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate.

What is the SMILES notation for cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate?

The canonical SMILES for cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate is CC1(S(=O)(=O)NC(=O)[C@@]23CC[C@H]2/C=C\CCCCC[C@H](NC(=O)OC2CCCC2)C(=O)N2C[C@@]4(CCc5c(c(C6CC6)nc6ccc7c(c56)OCO7)O4)C[C@H]2C(=O)N3)CC1.

What is the InChIKey of cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate?

The InChIKey is HIRIOTVFENXMBA-BZYJAWDESA-N. The full InChI is InChI=1S/C44H55N5O10S/c1-42(21-22-42)60(54,55)48-40(52)44-20-17-27(44)9-5-3-2-4-6-12-31(46-41(53)58-28-10-7-8-11-28)39(51)49-24-43(23-32(49)38(50)47-44)19-18-29-34-30(15-16-33-37(34)57-25-56-33)45-35(26-13-14-26)36(29)59-43/h5,9,15-16,26-28,31-32H,2-4,6-8,10-14,17-25H2,1H3,(H,46,53)(H,47,50)(H,48,52)/b9-5-/t27-,31+,32+,43-,44-/m1/s1.

What are the key properties of cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate?

cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate has a molecular weight of 846.02 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[(1S,4R,7S,8Z,15S,19R)-8'-cyclopropyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,16-dioxospiro[3,17-diazatricyclo[15.3.0.04,7]icos-8-ene-19,5'-6,14,16-trioxa-9-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,11,13(17)-pentaene]-15-yl]carbamate is sourced from PubChem (CID 144571333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).