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86938-28-5 | L-Proline, 1-[N-[1-carboxy-3-oxo-3-(1-pyrrolidinyl)propyl]alanyl]-, (S)-
CAS No: 86938-28-5 Catalog No: AG004ODI MDL No:
Product Description
Catalog Number:
AG004ODI
Chemical Name:
L-Proline, 1-[N-[1-carboxy-3-oxo-3-(1-pyrrolidinyl)propyl]alanyl]-, (S)-
CAS Number:
86938-28-5
Molecular Formula:
C16H25N3O6
Molecular Weight:
355.3862
IUPAC Name:
(2S)-1-[(2S)-2-[(1-carboxy-3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H25N3O6/c1-10(14(21)19-8-4-5-12(19)16(24)25)17-11(15(22)23)9-13(20)18-6-2-3-7-18/h10-12,17H,2-9H2,1H3,(H,22,23)(H,24,25)/t10-,11?,12-/m0/s1
InChI Key:
HFLXBXVTQBVGTM-PRWSFJOGSA-N
SMILES:
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(C(=O)O)CC(=O)N1CCCC1
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
355.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
355.391g/mol
Monoisotopic Mass:
355.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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