benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate

C31H41N3O8 — CID 90338250

About benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate

benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate (PubChem CID 90338250) has the molecular formula C31H41N3O8 and a molecular weight of 583.68 g/mol. Its IUPAC name is benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate
• PubChem CID: 90338250
• Molecular Formula: C31H41N3O8
• Molecular Weight: 583.68 g/mol
• Exact Mass: 583.29
• IUPAC Name: benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate
• SMILES: CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)[C@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C31H41N3O8/c1-19(2)25-18-41-30(39)34(25)27(36)20(3)26(35)24(33-29(38)42-31(4,5)6)16-21-12-14-23(15-13-21)32-28(37)40-17-22-10-8-7-9-11-22/h7-15,19-20,24-26,35H,16-18H2,1-6H3,(H,32,37)(H,33,38)/t20-,24-,25+,26-/m0/s1
• InChIKey: YHDLCQLIVDSDEN-JTMVAAEOSA-N
• XLogP: 4.87
• TPSA: 143.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.68
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate?

The IUPAC name of benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate (CID 90338250) is benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate.

What is the SMILES notation for benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate?

The canonical SMILES for benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate is CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)[C@H](Cc1ccc(NC(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C.

What is the InChIKey of benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate?

The InChIKey is YHDLCQLIVDSDEN-JTMVAAEOSA-N. The full InChI is InChI=1S/C31H41N3O8/c1-19(2)25-18-41-30(39)34(25)27(36)20(3)26(35)24(33-29(38)42-31(4,5)6)16-21-12-14-23(15-13-21)32-28(37)40-17-22-10-8-7-9-11-22/h7-15,19-20,24-26,35H,16-18H2,1-6H3,(H,32,37)(H,33,38)/t20-,24-,25+,26-/m0/s1.

What are the key properties of benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate?

benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate has a molecular weight of 583.68 g/mol, XLogP of 4.87, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate is sourced from PubChem (CID 90338250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).