138
  Mrv0541 02231214282D          

 14 13  0  0  1  0            999 V2000
    3.7935    0.5404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2846    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    3.0154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.9347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.7779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0791   -1.5222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5080    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  9  7  1  6  0  0  0
 10  8  1  6  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00138

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
L-Cystine

> <SYNONYMS>
(-)-Cystine; Cysteine disulfide; Cystine acid; L-alpha-Diamino-beta-dithiolactic acid; L-Dicysteine

> <CHEMICAL_FORMULA>
C6H12N2O4S2

> <MOLECULAR_WEIGHT>
240.3

> <EXACT_MASS>
240.023848262

> <IUPAC_NAME>
(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid

> <INCHI_IDENTIFIER>
InChI=1S/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)/t3-,4-/m0/s1

> <INCHI_KEY>
InChIKey=LEVWYRKDKASIDU-IMJSIDKUSA-N

> <SMILES>
N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_ACIDIC_PKA>
2.27

> <ALOGPS_LOGP>
-3.2

> <JCHEM_LOGP>
-5.9

> <ALOGPS_LOGS>
-1.2

> <JCHEM_POLARIZABILITY>
22.67

> <JCHEM_POLAR_SURFACE_AREA>
126.64

> <JCHEM_REFRACTIVITY>
54.87

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <ALOGPS_SOLUBILITY>
1.68e+01 g/l

$$$$