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24787-89-1 | L-Alanine, N-[(phenylmethoxy)carbonyl]-L-valyl-
CAS No: 24787-89-1 Catalog No: AG002PF7 MDL No:MFCD00020395
Product Description
Catalog Number:
AG002PF7
Chemical Name:
L-Alanine, N-[(phenylmethoxy)carbonyl]-L-valyl-
CAS Number:
24787-89-1
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD00020395
IUPAC Name:
(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
InChI:
InChI=1S/C16H22N2O5/c1-10(2)13(14(19)17-11(3)15(20)21)18-16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1
InChI Key:
KDQLNJPBTLIYNW-AAEUAGOBSA-N
SMILES:
CC([C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)OCc1ccccc1)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
322.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.361g/mol
Monoisotopic Mass:
322.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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