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Chemical ID: 4734823
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
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Experimental Annotations
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Descriptor Annotations
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