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136884-28-1 | L-Alanine, N-[N-(dibutoxyphosphinyl)-L-alanyl]- (9CI)
CAS No: 136884-28-1 Catalog No: AG0012IY MDL No:
Product Description
Catalog Number:
AG0012IY
Chemical Name:
L-Alanine, N-[N-(dibutoxyphosphinyl)-L-alanyl]- (9CI)
CAS Number:
136884-28-1
Molecular Formula:
C14H29N2O6P
Molecular Weight:
352.3636
IUPAC Name:
(2S)-2-[[(2S)-2-(dibutoxyphosphorylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C14H29N2O6P/c1-5-7-9-21-23(20,22-10-8-6-2)16-11(3)13(17)15-12(4)14(18)19/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,20)(H,18,19)/t11-,12-/m0/s1
InChI Key:
MKAGWOAORJMNMS-RYUDHWBXSA-N
SMILES:
CCCCOP(=O)(N[C@H](C(=O)N[C@H](C(=O)O)C)C)OCCCC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
352.176g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.368g/mol
Monoisotopic Mass:
352.176g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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