Home Carbonyls N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine

N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine

CAS No.:
81306-93-6
Catalog Number:
AG00G9IY
Molecular Formula:
C16H22N2O6
Molecular Weight:
338.3557
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Product Description
Catalog Number:
AG00G9IY
Chemical Name:
N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine
CAS Number:
81306-93-6
Molecular Formula:
C16H22N2O6
Molecular Weight:
338.3557
MDL Number:
MFCD18252750
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C16H22N2O6/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)
InChI Key:
QKMSMVGTLTVHLK-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.148g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
338.36g/mol
Monoisotopic Mass:
338.148g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties