Chemical ID: 7570019

c1c(cc(c(c1O)O)SCC(C(=O)O)N)CC(C(=O)O)N
Chemical ID:
7570019
Name [?]:
2-amino-3-[5-(2-amino-2-carboxy-ethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid
SMILES [?]:
c1c(cc(c(c1O)O)SCC(C(=O)O)N)CC(C(=O)O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H16N2O6S
All Atoms:37
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:6.95498
Area:514.54
Solvation:-5.90852
Coulombic:-109.295
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-2.38
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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