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1279026-46-8 | D-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1), (4S)-
CAS No: 1279026-46-8 Catalog No: AG000XJ4 MDL No:
Product Description
Catalog Number:
AG000XJ4
Chemical Name:
D-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1), (4S)-
CAS Number:
1279026-46-8
Molecular Formula:
C14H19ClN2O4
Molecular Weight:
314.7647
IUPAC Name:
methyl (2R,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C14H18N2O4.ClH/c1-19-13(17)12-7-11(8-15-12)16-14(18)20-9-10-5-3-2-4-6-10;/h2-6,11-12,15H,7-9H2,1H3,(H,16,18);1H/t11-,12+;/m0./s1
InChI Key:
XDBGAPKWUMJMJC-ZVWHLABXSA-N
SMILES:
COC(=O)[C@@H]1NC[C@H](C1)NC(=O)OCc1ccccc1.Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
314.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.766g/mol
Monoisotopic Mass:
314.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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