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20223-80-7 | L-Histidine, L-β-aspartyl-
CAS No: 20223-80-7 Catalog No: AG00285T MDL No:
Product Description
Catalog Number:
AG00285T
Chemical Name:
L-Histidine, L-β-aspartyl-
CAS Number:
20223-80-7
Molecular Formula:
C10H14N4O5
Molecular Weight:
270.2420
IUPAC Name:
(2S)-2-amino-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1
InChI Key:
KABYBYFUSGXITA-BQBZGAKWSA-N
SMILES:
O=C(C[C@@H](C(=O)O)N)N[C@H](C(=O)O)Cc1c[nH]cn1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
270.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
270.245g/mol
Monoisotopic Mass:
270.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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