methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate

C34H43N3O6 — CID 66674302

About methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate

methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate (PubChem CID 66674302) has the molecular formula C34H43N3O6 and a molecular weight of 589.73 g/mol. Its IUPAC name is methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate.

Molecular Properties

• Compound Name: methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
• PubChem CID: 66674302
• Molecular Formula: C34H43N3O6
• Molecular Weight: 589.73 g/mol
• Exact Mass: 589.32
• IUPAC Name: methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
• SMILES: COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](N(C)C(=O)CCNC(=O)OC(C)(C)C)COc1ccccc1-3
• InChI: InChI=1S/C34H43N3O6/c1-34(2,3)43-33(40)35-18-17-29(38)36(4)24-20-37-27-19-23(32(39)41-5)15-16-25(27)30(22-11-7-6-8-12-22)31(37)26-13-9-10-14-28(26)42-21-24/h9-10,13-16,19,22,24H,6-8,11-12,17-18,20-21H2,1-5H3,(H,35,40)/t24-/m1/s1
• InChIKey: OFUYNMJLYKVOND-XMMPIXPASA-N
• XLogP: 6.28
• TPSA: 99.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.73
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

The IUPAC name of methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate (CID 66674302) is methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate.

What is the SMILES notation for methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

The canonical SMILES for methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](N(C)C(=O)CCNC(=O)OC(C)(C)C)COc1ccccc1-3.

What is the InChIKey of methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

The InChIKey is OFUYNMJLYKVOND-XMMPIXPASA-N. The full InChI is InChI=1S/C34H43N3O6/c1-34(2,3)43-33(40)35-18-17-29(38)36(4)24-20-37-27-19-23(32(39)41-5)15-16-25(27)30(22-11-7-6-8-12-22)31(37)26-13-9-10-14-28(26)42-21-24/h9-10,13-16,19,22,24H,6-8,11-12,17-18,20-21H2,1-5H3,(H,35,40)/t24-/m1/s1.

What are the key properties of methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?

methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate has a molecular weight of 589.73 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (10R)-19-cyclohexyl-10-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate is sourced from PubChem (CID 66674302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).