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114115-72-9 | Glycine, N-[N-[N-[N-(mercaptoacetyl)glycyl]glycyl]glycyl]- (9CI)
CAS No: 114115-72-9 Catalog No: AG000AMI MDL No:
Product Description
Catalog Number:
AG000AMI
Chemical Name:
Glycine, N-[N-[N-[N-(mercaptoacetyl)glycyl]glycyl]glycyl]- (9CI)
CAS Number:
114115-72-9
Molecular Formula:
C10H16N4O6S
Molecular Weight:
320.3222
IUPAC Name:
2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C10H16N4O6S/c15-6(12-2-8(17)14-4-10(19)20)1-11-7(16)3-13-9(18)5-21/h21H,1-5H2,(H,11,16)(H,12,15)(H,13,18)(H,14,17)(H,19,20)
InChI Key:
BHZDWBVRFJQQEL-UHFFFAOYSA-N
SMILES:
SCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
320.32g/mol
Monoisotopic Mass:
320.079g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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