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1621085-33-3 | L-Valine, 3-methyl-N-[(phenylmethoxy)carbonyl]-, compd. with 2-propanamine (1:1)
CAS No: 1621085-33-3 Catalog No: AG001SRG MDL No:
Product Description
Catalog Number:
AG001SRG
Chemical Name:
L-Valine, 3-methyl-N-[(phenylmethoxy)carbonyl]-, compd. with 2-propanamine (1:1)
CAS Number:
1621085-33-3
Molecular Formula:
C17H28N2O4
Molecular Weight:
324.4152
IUPAC Name:
(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid;propan-2-amine
InChI:
InChI=1S/C14H19NO4.C3H9N/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10;1-3(2)4/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);3H,4H2,1-2H3/t11-;/m1./s1
InChI Key:
DSPXYSGFRRGQSJ-RFVHGSKJSA-N
SMILES:
O=C(N[C@@H](C(C)(C)C)C(=O)O)OCc1ccccc1.CC(N)C
EC Number:
811-295-8
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.421g/mol
Monoisotopic Mass:
324.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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