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114731-36-1 | L-Glutamic acid, N-(N-L-histidyl-L-seryl)- (9CI)
CAS No: 114731-36-1 Catalog No: AG000F46 MDL No:
Product Description
Catalog Number:
AG000F46
Chemical Name:
L-Glutamic acid, N-(N-L-histidyl-L-seryl)- (9CI)
CAS Number:
114731-36-1
Molecular Formula:
C14H21N5O7
Molecular Weight:
371.3458
IUPAC Name:
2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C14H21N5O7/c15-8(3-7-4-16-6-17-7)12(23)19-10(5-20)13(24)18-9(14(25)26)1-2-11(21)22/h4,6,8-10,20H,1-3,5,15H2,(H,16,17)(H,18,24)(H,19,23)(H,21,22)(H,25,26)
InChI Key:
JMSONHOUHFDOJH-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)N
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.144g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
371.35g/mol
Monoisotopic Mass:
371.144g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3
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