Products for Research Use Only

Enkephalin-met, acetaldehyde-

CAT: 0931-T31632-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T31632-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
74080-62-9
Target
Others
Related Pathways
Others
Bioactivity
Enkephalin-met, a naturally occurring opioid peptide used to regulate the growth of human colon cancer, can be used as an effective negative regulator of human gastrointestinal cancer and may suggest pathways for tumor etiology, progression, treatment and prevention.
Smiles
CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CN1C(C)NC(Cc2ccc(O)cc2)C1=O)C(O)=O
Molecular Formula
C29H37N5O7S
Molecular Weight
599.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

enkephalin-Met, acetaldehyde-
CAS Number74080-62-9
PubChem CID194560
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[2-[4-[(4-hydroxyphenyl)methyl]-2-methyl-5-oxoimidazolidin-1-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC29H37N5O7S
Molecular Weight599.7
XLogP-0.4
Topological Polar Surface Area202
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count42
Formal Charge0
Complexity939
SMILES
CC1NC(C(=O)N1CC(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)O)CC3=CC=C(C=C3)O
InChI
InChI=1S/C29H37N5O7S/c1-18-31-24(15-20-8-10-21(35)11-9-20)28(39)34(18)17-26(37)30-16-25(36)32-23(14-19-6-4-3-5-7-19)27(38)33-22(29(40)41)12-13-42-2/h3-11,18,22-24,31,35H,12-17H2,1-2H3,(H,30,37)(H,32,36)(H,33,38)(H,40,41)/t18?,22-,23-,24?/m0/s1
InChIKey
GVZPFSIGGIAFFF-PRRLZWHQSA-N
Chemical Structure
2D Structure
2D structure of enkephalin-Met, acetaldehyde-
CAS: 74080-62-9
CID: 194560
Formula: C29H37N5O7S
MW: 599.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight599.7
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass599.24136971
Monoisotopic Mass599.24136971
Topological Polar Surface Area202 Ų
Heavy Atom Count42
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes