Mrv1718009051818312D          

 25 24  0  0  0  0            999 V2000
    2.9439    0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4589    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.7144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3964    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2535   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7285   -2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2535    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410    1.4289    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6339    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214   -2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285    2.1434    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  2  19  -1  25   2
M  END
> <DATABASE_ID>
DB14683

> <DATABASE_NAME>
drugbank

> <SMILES>
[Cu++].NCCCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H24N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);/q;+2/p-1/t10-,11-;/m0./s1

> <INCHI_KEY>
NZWIFMYRRCMYMN-ACMTZBLWSA-M

> <FORMULA>
C14H23CuN6O4

> <MOLECULAR_WEIGHT>
402.921

> <EXACT_MASS>
402.107128

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
34.20611958021233

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) (2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanamido]hexanoate

> <ALOGPS_LOGP>
-0.94

> <JCHEM_LOGP>
-5.435810597413807

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
12.230200602168516

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.456418415651824

> <JCHEM_PKA_STRONGEST_BASIC>
10.201037004615012

> <JCHEM_POLAR_SURFACE_AREA>
179.05

> <JCHEM_REFRACTIVITY>
96.30919999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) (2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-(3H-imidazol-4-yl)propanamido]hexanoate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14683

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT002419

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Prezatide copper

> <SYNONYMS>
CG-copper peptide; Copper tripeptide-1; GHK complex with copper; GHK copper

> <PRODUCTS>
Cosmeceutical Mask Pack; Dermaheal Cosmeceutical Mask Pack Plus; Dermaheal Skin Delight Mask Pack Plus; Elcure Pepta Hair; Elcure Pepta Hair Essence; NEWSTEM Rx FRACTIONAL REPAIR Energy Ampoule; Pepplus Special Skin Care Lifting Program; Pepta Hair; Pepta Hair Essence; Skin Delight Mask Pack; Skin Delight Mask Pack Plus; Special Skin Care Lifting Program

> <SALTS>
Prezatide copper acetate

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