tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate

C26H38N2O4 — CID 91005637

IUPACtert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(COCc1ccccc1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H38N2O4/c1-25(2,3)32-24(30)28-22(16-20-12-8-6-9-13-20)23(29)17-27-26(4,5)19-31-18-21-14-10-7-11-15-21/h6-15,22-23,27,29H,16-19H2,1-5H3,(H,28,30)/t22-,23+/m0/s1
InChIKeyAELYYGXVWOUUJP-XZOQPEGZSA-N
MW442.60 g/mol
LogP4.07
Rot. Bonds11

About tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate (PubChem CID 91005637) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
PubChem CID91005637
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(COCc1ccccc1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C26H38N2O4/c1-25(2,3)32-24(30)28-22(16-20-12-8-6-9-13-20)23(29)17-27-26(4,5)19-31-18-21-14-10-7-11-15-21/h6-15,22-23,27,29H,16-19H2,1-5H3,(H,28,30)/t22-,23+/m0/s1
InChIKeyAELYYGXVWOUUJP-XZOQPEGZSA-N
XLogP4.07
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylbutan-2-ylamino)-1-phenylbutan-2-yl]carbamate
CID 69429687
(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 69361411
tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-(methylamino)ethylamino]-1-phenylbutan-2-yl]carbamate
CID 142012207
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-[(2S,3S)-3-hydroxy-4-[[(3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 57067699
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-[(2S,3R)-3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]carbamate
CID 91526659
(2S,4S,5S)-2-benzyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
CID 10070341
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-[(2S,3R)-2-hydroxy-1-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-5-phenylpentan-3-yl]carbamate
CID 5327517
tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 59131603
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate (CID 91005637) is tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate is CC(C)(COCc1ccccc1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate?
The InChIKey is AELYYGXVWOUUJP-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-25(2,3)32-24(30)28-22(16-20-12-8-6-9-13-20)23(29)17-27-26(4,5)19-31-18-21-14-10-7-11-15-21/h6-15,22-23,27,29H,16-19H2,1-5H3,(H,28,30)/t22-,23+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate has a molecular weight of 442.60 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 91005637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).