Home Carbonyls (S)-2-((tert-Butoxycarbonyl)amino)-3-(((2-phenylacetamido)methyl)thio)propanoic acid

(S)-2-((tert-Butoxycarbonyl)amino)-3-(((2-phenylacetamido)methyl)thio)propanoic acid

CAS No.:
57084-73-8
Catalog Number:
AG00IA6O
Molecular Formula:
C17H24N2O5S
Molecular Weight:
368.4479
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Product Description
Catalog Number:
AG00IA6O
Chemical Name:
(S)-2-((tert-Butoxycarbonyl)amino)-3-(((2-phenylacetamido)methyl)thio)propanoic acid
CAS Number:
57084-73-8
Molecular Formula:
C17H24N2O5S
Molecular Weight:
368.4479
MDL Number:
MFCD13186180
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid
InChI:
InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(23)19-13(15(21)22)10-25-11-18-14(20)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t13-/m1/s1
InChI Key:
PJBKUXHWPDGAQA-CYBMUJFWSA-N
SMILES:
O=C(Cc1ccccc1)NCSC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
368.141g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
368.448g/mol
Monoisotopic Mass:
368.141g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties