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16012-70-7 | L-Alanine, N-[(phenylmethoxy)carbonyl]-L-alanyl-
CAS No: 16012-70-7 Catalog No: AG001ROF MDL No:MFCD00037234
Product Description
Catalog Number:
AG001ROF
Chemical Name:
L-Alanine, N-[(phenylmethoxy)carbonyl]-L-alanyl-
CAS Number:
16012-70-7
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.3031
MDL Number:
MFCD00037234
IUPAC Name:
(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C14H18N2O5/c1-9(12(17)15-10(2)13(18)19)16-14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)/t9-,10-/m0/s1
InChI Key:
JBGCVTHXXTVYIP-UWVGGRQHSA-N
SMILES:
C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)OCc1ccccc1
EC Number:
240-149-0
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.307g/mol
Monoisotopic Mass:
294.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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