methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate

C24H39N3O7 — CID 59084530

IUPACmethyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate
SMILESCOC(=O)[C@@]12CC1CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N2
InChIInChI=1S/C24H39N3O7/c1-23(2,3)34-22(32)25-17-11-9-7-5-6-8-10-15-13-24(15,21(31)33-4)26-19(29)18-12-16(28)14-27(18)20(17)30/h15-18,28H,5-14H2,1-4H3,(H,25,32)(H,26,29)/t15?,16-,17-,18-,24+/m0/s1
InChIKeyNOROGILBILCVDO-ZEKARKNSSA-N
MW481.59 g/mol
LogP1.63
Rot. Bonds2

About methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate

methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate (PubChem CID 59084530) has the molecular formula C24H39N3O7 and a molecular weight of 481.59 g/mol. Its IUPAC name is methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate.

Molecular Properties

Compound Namemethyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate
PubChem CID59084530
Molecular FormulaC24H39N3O7
Molecular Weight481.59 g/mol
Exact Mass481.28
IUPAC Namemethyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate
SMILESCOC(=O)[C@@]12CC1CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N2
InChIInChI=1S/C24H39N3O7/c1-23(2,3)34-22(32)25-17-11-9-7-5-6-8-10-15-13-24(15,21(31)33-4)26-19(29)18-12-16(28)14-27(18)20(17)30/h15-18,28H,5-14H2,1-4H3,(H,25,32)(H,26,29)/t15?,16-,17-,18-,24+/m0/s1
InChIKeyNOROGILBILCVDO-ZEKARKNSSA-N
XLogP1.63
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate?
The IUPAC name of methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate (CID 59084530) is methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate.
What is the SMILES notation for methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate?
The canonical SMILES for methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate is COC(=O)[C@@]12CC1CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N2.
What is the InChIKey of methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate?
The InChIKey is NOROGILBILCVDO-ZEKARKNSSA-N. The full InChI is InChI=1S/C24H39N3O7/c1-23(2,3)34-22(32)25-17-11-9-7-5-6-8-10-15-13-24(15,21(31)33-4)26-19(29)18-12-16(28)14-27(18)20(17)30/h15-18,28H,5-14H2,1-4H3,(H,25,32)(H,26,29)/t15?,16-,17-,18-,24+/m0/s1.
What are the key properties of methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate?
methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate has a molecular weight of 481.59 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,4R,14S,18S)-18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylate is sourced from PubChem (CID 59084530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).