Mrv1909 11201903272D          

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M  END
> <DATABASE_ID>
DB11709

> <DATABASE_NAME>
drugbank

> <SMILES>
CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=C)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C35H62N14O11S/c1-18(20(45-19(2)50)9-12-27(52)53)44-23(10-13-28(54)55)31(58)49-25(14-17-61-3)33(60)48-24(8-11-26(36)51)32(59)47-22(7-5-16-43-35(40)41)30(57)46-21(29(37)56)6-4-15-42-34(38)39/h20-25,44H,1,4-17H2,2-3H3,(H2,36,51)(H2,37,56)(H,45,50)(H,46,57)(H,47,59)(H,48,60)(H,49,58)(H,52,53)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t20-,21-,22-,23-,24-,25-/m0/s1

> <INCHI_KEY>
AJLNZWYOJAWBCR-OOPVGHQCSA-N

> <FORMULA>
C35H62N14O11S

> <MOLECULAR_WEIGHT>
887.03

> <EXACT_MASS>
886.444320046

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
123

> <JCHEM_AVERAGE_POLARIZABILITY>
89.92738222547175

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
16

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S)-5-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]amino}-4-acetamidohex-5-enoic acid

> <ALOGPS_LOGP>
-2.93

> <JCHEM_LOGP>
-9.769424860605927

> <ALOGPS_LOGS>
-3.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
4.172318261433819

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5493166997622345

> <JCHEM_PKA_STRONGEST_BASIC>
12.091589076818087

> <JCHEM_POLAR_SURFACE_AREA>
442.10999999999996

> <JCHEM_REFRACTIVITY>
240.99249999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
33

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.81e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(Z)-N'-cyano-N-(3,3-dimethylbutan-2-yl)-N''-(pyridin-4-yl)guanidine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11709

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Acetyl hexapeptide-3

> <SYNONYMS>
Acetyl hexapeptide-3; Acetyl hexapeptide-8; Argireline; Argireline NP; Hexapeptide 3

> <PRODUCTS>
Derma Instant Youth; HydroGold 9; Laser Rejuvenation restoring damage skin; Ultra Protection Ultra Long-UVA

$$$$