benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate

C38H36N4O8 — CID 15979021

IUPACbenzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate
SMILESO=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3COCN3C(=O)OCc3ccccc3)cc2)cc1)[C@@H]1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C38H36N4O8/c43-35(33-23-47-25-41(33)37(45)49-21-29-7-3-1-4-8-29)39-31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)40-36(44)34-24-48-26-42(34)38(46)50-22-30-9-5-2-6-10-30/h1-20,33-34H,21-26H2,(H,39,43)(H,40,44)/b12-11+/t33-,34-/m0/s1
InChIKeyGWBHSMJYMNSWCB-COKBWNLUSA-N
MW676.73 g/mol
LogP5.72
Rot. Bonds10

About benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate

benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 15979021) has the molecular formula C38H36N4O8 and a molecular weight of 676.73 g/mol. Its IUPAC name is benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate
PubChem CID15979021
Molecular FormulaC38H36N4O8
Molecular Weight676.73 g/mol
Exact Mass676.25
IUPAC Namebenzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate
SMILESO=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3COCN3C(=O)OCc3ccccc3)cc2)cc1)[C@@H]1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C38H36N4O8/c43-35(33-23-47-25-41(33)37(45)49-21-29-7-3-1-4-8-29)39-31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)40-36(44)34-24-48-26-42(34)38(46)50-22-30-9-5-2-6-10-30/h1-20,33-34H,21-26H2,(H,39,43)(H,40,44)/b12-11+/t33-,34-/m0/s1
InChIKeyGWBHSMJYMNSWCB-COKBWNLUSA-N
XLogP5.72
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.73
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(R)-hydroxy(phenyl)methyl]-N-[4-[(E)-2-[4-[[(2S)-1-[(R)-hydroxy(phenyl)methyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 73345967
benzyl (2S)-2-[[4-[(E)-2-[4-[[(2S)-1-benzyloxycarbonylpiperidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15978897
benzyl (2S,4S)-2-[[4-[(E)-2-[4-[[(2S,4S)-1-benzyloxycarbonyl-4-methoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-methoxy-pyrrolidine-1-carboxylate
CID 15979144
benzyl (2S,4R)-2-[[4-[(E)-2-[4-[[(2S,4R)-1-benzyloxycarbonyl-4-ethoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-ethoxy-pyrrolidine-1-carboxylate
CID 15979145
benzyl (2S,4R)-2-[[4-[(E)-2-[4-[[(2S,4R)-1-benzyloxycarbonyl-4-methoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-methoxy-pyrrolidine-1-carboxylate
CID 15979146
benzyl (2S,4S)-2-[[4-[(E)-2-[4-[[(2S,4S)-1-benzyloxycarbonyl-4-ethoxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-ethoxy-pyrrolidine-1-carboxylate
CID 15979147
benzyl (2S)-2-[[4-[(E)-2-[4-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 15980715
benzyl (2S,4R)-2-[[4-[(E)-2-[4-[[(2S,4R)-1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylate
CID 15980716
benzyl (2S,4S)-4-hydroxy-2-[[4-[(E)-2-[4-[[(2S,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58768611
benzyl (2S,4S)-2-[[4-[(E)-2-[4-[[(2S,4S)-1-benzyloxycarbonyl-4-(dimethylamino)pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]-4-(dimethylamino)pyrrolidine-1-carboxylate
CID 58768734
benzyl (2S)-2-[[4-[(E)-2-[4-[[(2S)-1-benzyloxycarbonylindoline-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]indoline-1-carboxylate
CID 58768807
2-{(S)-3-Phenyl-1-[(4-piperidin-1-yl-phenylamino)-methyl]-propylcarbamoyl}-pyrrolidine-1-carboxylic acid benzyl ester
CID 44382949

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate (CID 15979021) is benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate is O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3COCN3C(=O)OCc3ccccc3)cc2)cc1)[C@@H]1COCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is GWBHSMJYMNSWCB-COKBWNLUSA-N. The full InChI is InChI=1S/C38H36N4O8/c43-35(33-23-47-25-41(33)37(45)49-21-29-7-3-1-4-8-29)39-31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)40-36(44)34-24-48-26-42(34)38(46)50-22-30-9-5-2-6-10-30/h1-20,33-34H,21-26H2,(H,39,43)(H,40,44)/b12-11+/t33-,34-/m0/s1.
What are the key properties of benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 676.73 g/mol, XLogP of 5.72, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-[[4-[(E)-2-[4-[[(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15979021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).