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Met-Enkephalin-Arg-Phe

CAT: 0926-FM108789-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FM108789-01Size:10 mg
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CAS Number
73024-95-0
Synonyms
H-Tyr-Gly-Gly-Phe-Met-Arg-Phe-OH; H-YGGFMRF-OH
MDL Number
MFCD00076425
Smiles
CSCC[C@@H] (C (=O) N[C@@H] (CCCN=C (N) N) C (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) O) NC (=O) [C@H] (CC2=CC=CC=C2) NC (=O) CNC (=O) CNC (=O) [C@H] (CC3=CC=C (C=C3) O) N
Molecular Formula
C42H56N10O9S
Molecular Weight
877.02 g/mol
Controlled
No

Chemical Information

enkephalin-Met, Arg(6)-Phe(7)-

Met-enkephalin-Arg-Phe is an organic molecular entity.

CAS Number73024-95-0
PubChem CID123789
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC42H56N10O9S
Molecular Weight877.0
XLogP-1.9
Topological Polar Surface Area348
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count62
Formal Charge0
Complexity1480
SMILES
CSCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C42H56N10O9S/c1-62-20-18-32(39(58)50-31(13-8-19-46-42(44)45)38(57)52-34(41(60)61)23-27-11-6-3-7-12-27)51-40(59)33(22-26-9-4-2-5-10-26)49-36(55)25-47-35(54)24-48-37(56)30(43)21-28-14-16-29(53)17-15-28/h2-7,9-12,14-17,30-34,53H,8,13,18-25,43H2,1H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)(H,51,59)(H,52,57)(H,60,61)(H4,44,45,46)/t30-,31-,32-,33-,34-/m0/s1
InChIKey
KTQKWSPZOZKAEE-LJADHVKFSA-N
Chemical Structure
2D Structure
2D structure of enkephalin-Met, Arg(6)-Phe(7)-
CAS: 73024-95-0
CID: 123789
Formula: C42H56N10O9S
MW: 877.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight877.0
XLogP3-1.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass876.39524458
Monoisotopic Mass876.39524458
Topological Polar Surface Area348 Ų
Heavy Atom Count62
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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