benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate

C28H36N4O11 — CID 101397321

IUPACbenzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)O[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N1C(=O)O[C@H](C)[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C28H36N4O11/c1-14(22(34)32-20(17(4)42-27(32)39)24(36)40-13-18-11-9-8-10-12-18)29-21(33)19-16(3)41-26(38)31(19)23(35)15(2)30-25(37)43-28(5,6)7/h8-12,14-17,19-20H,13H2,1-7H3,(H,29,33)(H,30,37)/t14-,15-,16+,17+,19-,20-/m0/s1
InChIKeyHVXBZJASBJAJQH-VEXWFWOFSA-N
MW604.61 g/mol
LogP1.62
Rot. Bonds8

About benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate

benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 101397321) has the molecular formula C28H36N4O11 and a molecular weight of 604.61 g/mol. Its IUPAC name is benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID101397321
Molecular FormulaC28H36N4O11
Molecular Weight604.61 g/mol
Exact Mass604.24
IUPAC Namebenzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)O[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N1C(=O)O[C@H](C)[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C28H36N4O11/c1-14(22(34)32-20(17(4)42-27(32)39)24(36)40-13-18-11-9-8-10-12-18)29-21(33)19-16(3)41-26(38)31(19)23(35)15(2)30-25(37)43-28(5,6)7/h8-12,14-17,19-20H,13H2,1-7H3,(H,29,33)(H,30,37)/t14-,15-,16+,17+,19-,20-/m0/s1
InChIKeyHVXBZJASBJAJQH-VEXWFWOFSA-N
XLogP1.62
TPSA186.95 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.61
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

benzyl (4S,5R)-5-methyl-3-[2-methyl-2-[[(4S,5R)-5-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 101397324
4-O-benzyl 3-O-tert-butyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-3,4-dicarboxylate
CID 10806707
4-O-benzyl 3-O-ethyl 5-methyl-2-oxo-1,3-oxazolidine-3,4-dicarboxylate
CID 18352599
benzyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2,3-dihydroindole-2-carboxylate
CID 86612047
benzyl (2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]-5-oxopyrrolidine-2-carboxylate
CID 101113355
(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 16723476
benzyl (4R,5S)-3-[(3S)-3-amino-3-phenylpropanoyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 16723233
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
benzyl (2S)-1-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 13389836
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 10980600
benzyl (2S,3R,4S)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3,4-dihydroxypyrrolidine-2-carboxylate
CID 58815013

Frequently Asked Questions

What is the IUPAC name of benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 101397321) is benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)O[C@H](C)[C@H]1C(=O)N[C@@H](C)C(=O)N1C(=O)O[C@H](C)[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is HVXBZJASBJAJQH-VEXWFWOFSA-N. The full InChI is InChI=1S/C28H36N4O11/c1-14(22(34)32-20(17(4)42-27(32)39)24(36)40-13-18-11-9-8-10-12-18)29-21(33)19-16(3)41-26(38)31(19)23(35)15(2)30-25(37)43-28(5,6)7/h8-12,14-17,19-20H,13H2,1-7H3,(H,29,33)(H,30,37)/t14-,15-,16+,17+,19-,20-/m0/s1.
What are the key properties of benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate?
benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 604.61 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S,5R)-5-methyl-3-[(2S)-2-[[(4S,5R)-5-methyl-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]propanoyl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 101397321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).