methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate

C26H33N3O6 — CID 10696198

IUPACmethyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@@](C)(CCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C26H33N3O6/c1-18(28-25(33)35-17-21-13-9-6-10-14-21)22(30)29-26(3,16-15-20-11-7-5-8-12-20)24(32)27-19(2)23(31)34-4/h5-14,18-19H,15-17H2,1-4H3,(H,27,32)(H,28,33)(H,29,30)/t18-,19-,26-/m1/s1
InChIKeyLRFNQLBWATXEOK-LJKQEARRSA-N
MW483.57 g/mol
LogP2.49
Rot. Bonds11

About methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate

methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate (PubChem CID 10696198) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate
PubChem CID10696198
Molecular FormulaC26H33N3O6
Molecular Weight483.57 g/mol
Exact Mass483.24
IUPAC Namemethyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)[C@@](C)(CCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C26H33N3O6/c1-18(28-25(33)35-17-21-13-9-6-10-14-21)22(30)29-26(3,16-15-20-11-7-5-8-12-20)24(32)27-19(2)23(31)34-4/h5-14,18-19H,15-17H2,1-4H3,(H,27,32)(H,28,33)(H,29,30)/t18-,19-,26-/m1/s1
InChIKeyLRFNQLBWATXEOK-LJKQEARRSA-N
XLogP2.49
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate with MolForge

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Related Compounds

benzyl N-[(2R)-1-[[(2R)-1-[[2-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 45490426
tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 171782458
methyl 3-oxo-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
CID 11013114
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 14333276
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
methyl (2S)-2-[[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanethioyl]amino]propanoate
CID 164673496
tert-butyl 2-methyl-2-[[(2R)-2-methyl-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
CID 10742920
methyl (2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate
CID 45049910
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
methyl (2S)-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14777794
methyl (2R)-3-hydroxy-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 23250973
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate (CID 10696198) is methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)[C@@](C)(CCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate?
The InChIKey is LRFNQLBWATXEOK-LJKQEARRSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-18(28-25(33)35-17-21-13-9-6-10-14-21)22(30)29-26(3,16-15-20-11-7-5-8-12-20)24(32)27-19(2)23(31)34-4/h5-14,18-19H,15-17H2,1-4H3,(H,27,32)(H,28,33)(H,29,30)/t18-,19-,26-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate?
methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate has a molecular weight of 483.57 g/mol, XLogP of 2.49, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-2-methyl-4-phenyl-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate is sourced from PubChem (CID 10696198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).