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18800-75-4 | Pentanoic acid, 4,5-diamino-5-oxo-, phenylmethyl ester, hydrochloride (1:1), (4R)-
CAS No: 18800-75-4 Catalog No: AG002GN7 MDL No:MFCD05663749
Product Description
Catalog Number:
AG002GN7
Chemical Name:
Pentanoic acid, 4,5-diamino-5-oxo-, phenylmethyl ester, hydrochloride (1:1), (4R)-
CAS Number:
18800-75-4
Molecular Formula:
C12H17ClN2O3
Molecular Weight:
272.7280
MDL Number:
MFCD05663749
IUPAC Name:
benzyl (4R)-4,5-diamino-5-oxopentanoate;hydrochloride
InChI:
InChI=1S/C12H16N2O3.ClH/c13-10(12(14)16)6-7-11(15)17-8-9-4-2-1-3-5-9;/h1-5,10H,6-8,13H2,(H2,14,16);1H/t10-;/m1./s1
InChI Key:
HSXVFJRDTASLQJ-HNCPQSOCSA-N
SMILES:
O=C(OCc1ccccc1)CC[C@H](C(=O)N)N.Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.729g/mol
Monoisotopic Mass:
272.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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