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20756-80-3 | L-Aspartic acid, L-histidyl-L-seryl-
CAS No: 20756-80-3 Catalog No: AG002J4Y MDL No:
Product Description
Catalog Number:
AG002J4Y
Chemical Name:
L-Aspartic acid, L-histidyl-L-seryl-
CAS Number:
20756-80-3
Molecular Formula:
C13H19N5O7
Molecular Weight:
357.3193
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
InChI:
InChI=1S/C13H19N5O7/c14-7(1-6-3-15-5-16-6)11(22)18-9(4-19)12(23)17-8(13(24)25)2-10(20)21/h3,5,7-9,19H,1-2,4,14H2,(H,15,16)(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1
InChI Key:
STGQSBKUYSPPIG-CIUDSAMLSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)O)NC(=O)[C@H](Cc1nc[nH]c1)N
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
357.128g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
357.323g/mol
Monoisotopic Mass:
357.128g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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