N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide

C34H32N8O5S — CID 73212458

IUPACN-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide
SMILESCSc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C34H32N8O5S/c1-48-25-17-27(36-28(18-25)34(46)42-20-47-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1
InChIKeyOWFMIDKWOVWZNT-DEIHTGSNSA-N
MW664.75 g/mol
LogP3.50
Rot. Bonds11

About N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide

N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide (PubChem CID 73212458) has the molecular formula C34H32N8O5S and a molecular weight of 664.75 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide
PubChem CID73212458
Molecular FormulaC34H32N8O5S
Molecular Weight664.75 g/mol
Exact Mass664.22
IUPAC NameN-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide
SMILESCSc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C34H32N8O5S/c1-48-25-17-27(36-28(18-25)34(46)42-20-47-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1
InChIKeyOWFMIDKWOVWZNT-DEIHTGSNSA-N
XLogP3.50
TPSA175.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.75
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide (CID 73212458) is N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide is CSc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1.
What is the InChIKey of N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide?
The InChIKey is OWFMIDKWOVWZNT-DEIHTGSNSA-N. The full InChI is InChI=1S/C34H32N8O5S/c1-48-25-17-27(36-28(18-25)34(46)42-20-47-19-29(42)22-11-6-3-7-12-22)32(44)37-26(15-21-9-4-2-5-10-21)30(43)33(45)35-24-14-8-13-23(16-24)31-38-40-41-39-31/h2-14,16-18,26,29-30,43H,15,19-20H2,1H3,(H,35,45)(H,37,44)(H,38,39,40,41)/t26-,29+,30-/m0/s1.
What are the key properties of N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide?
N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide has a molecular weight of 664.75 g/mol, XLogP of 3.50, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-methylsulfanyl-6-[(4S)-4-phenyl-1,3-oxazolidine-3-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 73212458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).