Ketcher 11181514022D 1   1.00000     0.00000     0

 24 25  0     1  0            999 V2000
   12.1860   -4.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1860   -3.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3200   -5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3200   -6.0198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4540   -4.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5879   -5.0198    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0521   -5.0198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181   -4.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9182   -3.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7842   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7842   -3.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6502   -4.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6503   -3.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5163   -3.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3823   -3.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3822   -4.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5162   -5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239   -5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900   -4.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239   -6.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900   -3.5198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7219   -4.5198    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558   -5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -4.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  3  4  1  1     0  0
  3  5  1  0     0  0
  5  6  1  0     0  0
  7  1  1  0     0  0
  9  8  1  0     0  0
 10  8  2  0     0  0
 11  9  2  0     0  0
 12 10  1  0     0  0
 13 11  1  0     0  0
 13 12  2  0     0  0
  7  8  1  0     0  0
 15 14  2  0     0  0
 13 14  1  0     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 17 12  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 19 21  1  1     0  0
 19 23  1  0     0  0
 22 23  1  0     0  0
 24 18  1  0     0  0
  6 22  1  0     0  0
M  END
> <ID>
CHEBI:90427

> <NAME>
L-cystine mono-2-naphthylamide

> <DEFINITION>
An L-cysteine derivative that is the amide obtained by formal condensation of one of the carboxy groups of L-cystine with the amino group of 2-naphthylamine.

> <STAR>
3

> <SYNONYM>
N-naphthalen-2-yl-L-cystinamide; L-cysteine mono-beta-naphthylamide; (2R)-2-amino-3-({(2R)-2-amino-3-[(naphthalen-2-yl)amino]-3-oxopropyl}disulfanyl)propanoic acid

> <FORMULA>
C16H19N3O3S2

> <MASS>
365.473

> <MONOISOTOPIC_MASS>
365.08678

> <CHARGE>
0

> <SMILES>
C(=O)([C@@H](N)CSSC[C@@H](C(=O)O)N)NC=1C=CC2=C(C1)C=CC=C2

> <INCHI>
InChI=1S/C16H19N3O3S2/c17-13(8-23-24-9-14(18)16(21)22)15(20)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14H,8-9,17-18H2,(H,19,20)(H,21,22)/t13-,14-/m0/s1

> <INCHIKEY>
GPBPFZNEBBEMBU-KBPBESRZSA-N

$$$$