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180894-18-2 | L-Serine, N-[N-[bis(1-methylethoxy)phosphinyl]-L-histidyl]- (9CI)
CAS No: 180894-18-2 Catalog No: AG0022F5 MDL No:
Product Description
Catalog Number:
AG0022F5
Chemical Name:
L-Serine, N-[N-[bis(1-methylethoxy)phosphinyl]-L-histidyl]- (9CI)
CAS Number:
180894-18-2
Molecular Formula:
C15H27N4O7P
Molecular Weight:
406.3712
IUPAC Name:
(2S)-2-[[(2S)-2-[di(propan-2-yloxy)phosphorylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C15H27N4O7P/c1-9(2)25-27(24,26-10(3)4)19-12(5-11-6-16-8-17-11)14(21)18-13(7-20)15(22)23/h6,8-10,12-13,20H,5,7H2,1-4H3,(H,16,17)(H,18,21)(H,19,24)(H,22,23)/t12-,13-/m0/s1
InChI Key:
MKXRKTKBFHZOJI-STQMWFEESA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H](NP(=O)(OC(C)C)OC(C)C)Cc1c[nH]cn1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
406.162g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
406.376g/mol
Monoisotopic Mass:
406.162g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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