Chemical ID: 4734823

C(C(C(=O)O)N)SSCC(C(=O)O)N
Chemical ID:
4734823
Name [?]:
2-amino-3-(2-amino-2-carboxy-ethyl)disulfanyl-propanoic acid
SMILES [?]:
C(C(C(=O)O)N)SSCC(C(=O)O)N
InChi [?]:
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,3,11,6,14,4,5,12,13,7,8/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14)/gE:(1,2)/rA:14cCCCOONSSCCCOON/rB:s1;s2;d3;s3;s2;s1;s7;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12N2O4S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:2
ZAP Information [?]
Total:6.91353
Area:415.697
Solvation:-3.47891
Coulombic:-76.9945
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:240.303
H-Bond Donors:6
H-Bond Acceptors:6
XLogP:-3.31
LogP (Chemaxon):-5.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue