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113737-67-0 | L-Alanine, L-alanyl-3-[[[(2R,3R)-3-(aminocarbonyl)oxiranyl]carbonyl]amino]- (9CI)
CAS No: 113737-67-0 Catalog No: AG0009HJ MDL No:
Product Description
Catalog Number:
AG0009HJ
Chemical Name:
L-Alanine, L-alanyl-3-[[[(2R,3R)-3-(aminocarbonyl)oxiranyl]carbonyl]amino]- (9CI)
CAS Number:
113737-67-0
Molecular Formula:
C10H16N4O6
Molecular Weight:
288.2572
IUPAC Name:
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(3-carbamoyloxirane-2-carbonyl)amino]propanoic acid
InChI:
InChI=1S/C10H16N4O6/c1-3(11)8(16)14-4(10(18)19)2-13-9(17)6-5(20-6)7(12)15/h3-6H,2,11H2,1H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t3-,4-,5?,6?/m0/s1
InChI Key:
QZCAFCAHKABCMV-LRUBVUKESA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@@H](N)C)CNC(=O)[C@@H]1O[C@H]1C(=O)N
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
288.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
288.26g/mol
Monoisotopic Mass:
288.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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