(2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride

C37H51ClN8O6 — CID 142750093

About (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride

(2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 142750093) has the molecular formula C37H51ClN8O6 and a molecular weight of 739.32 g/mol. Its IUPAC name is (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride
• PubChem CID: 142750093
• Molecular Formula: C37H51ClN8O6
• Molecular Weight: 739.32 g/mol
• Exact Mass: 738.36
• IUPAC Name: (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride
• SMILES: CC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NC2(C(O)C(N)=O)CCNCC2)N(C(=O)[C@@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)C1.Cl
• InChI: InChI=1S/C37H50N8O6.ClH/c1-36(2,51)30-21-40-43-45(30)27-20-29(34(49)42-37(31(46)32(38)47)14-16-39-17-15-37)44(22-27)35(50)28(18-23-8-4-3-5-9-23)41-33(48)26-13-12-24-10-6-7-11-25(24)19-26;/h6-7,10-13,19,21,23,27-29,31,39,46,51H,3-5,8-9,14-18,20,22H2,1-2H3,(H2,38,47)(H,41,48)(H,42,49);1H/t27-,28+,29-,31?;/m0./s1
• InChIKey: HHMUJCLVPDNRLR-HXKWXGMXSA-N
• XLogP: 2.08
• TPSA: 204.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.32
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 142750093) is (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NC2(C(O)C(N)=O)CCNCC2)N(C(=O)[C@@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)C1.Cl.

What is the InChIKey of (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is HHMUJCLVPDNRLR-HXKWXGMXSA-N. The full InChI is InChI=1S/C37H50N8O6.ClH/c1-36(2,51)30-21-40-43-45(30)27-20-29(34(49)42-37(31(46)32(38)47)14-16-39-17-15-37)44(22-27)35(50)28(18-23-8-4-3-5-9-23)41-33(48)26-13-12-24-10-6-7-11-25(24)19-26;/h6-7,10-13,19,21,23,27-29,31,39,46,51H,3-5,8-9,14-18,20,22H2,1-2H3,(H2,38,47)(H,41,48)(H,42,49);1H/t27-,28+,29-,31?;/m0./s1.

What are the key properties of (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride?

(2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 739.32 g/mol, XLogP of 2.08, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-N-[4-(2-amino-1-hydroxy-2-oxoethyl)piperidin-4-yl]-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 142750093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).