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76338-79-9 molecular structure
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2-amino-N-(1-{[1-({1-[(1-carbamoyl-2-phenylethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl)-3-(4-hydroxyphenyl)propanamide

ChemBase ID: 132269
Molecular Formular: C43H46N8O6
Molecular Mass: 770.87534
Monoisotopic Mass: 770.35403123
SMILES and InChIs

SMILES:
CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1ccc(cc1)O)N
Canonical SMILES:
Oc1ccc(cc1)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)N
InChI:
InChI=1S/C43H46N8O6/c1-25(48-42(56)37(21-28-23-46-34-13-7-5-11-31(28)34)51-41(55)33(44)19-27-15-17-30(52)18-16-27)40(54)50-38(22-29-24-47-35-14-8-6-12-32(29)35)43(57)49-36(39(45)53)20-26-9-3-2-4-10-26/h2-18,23-25,33,36-38,46-47,52H,19-22,44H2,1H3,(H2,45,53)(H,48,56)(H,49,57)(H,50,54)(H,51,55)
InChIKey:
JFMKMZZAVDKJAH-UHFFFAOYSA-N

Cite this record

CBID:132269 http://www.chembase.cn/molecule-132269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-(1-{[1-({1-[(1-carbamoyl-2-phenylethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl)-3-(4-hydroxyphenyl)propanamide
IUPAC Traditional name
2-amino-N-(1-{[1-({1-[(1-carbamoyl-2-phenylethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl)-3-(4-hydroxyphenyl)propanamide
Synonyms
Momany peptide
Tyr-D-Trp-Ala-Trp-D-Phe amide
CAS Number
76338-79-9
MDL Number
MFCD00133893
PubChem SID
162226546
24900291
PubChem CID
3348730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
T5517 external link Add to cart Please log in.
Data Source Data ID
PubChem 3348730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.509491  H Acceptors
H Donor LogD (pH = 5.5) 0.81527936 
LogD (pH = 7.4) 2.4860854  Log P 2.8472388 
Molar Refractivity 214.139 cm3 Polarizability 85.30931 Å3
Polar Surface Area 237.32 Å2 Rotatable Bonds 17 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% (HPLC) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T5517 external link
Biochem/physiol Actions
Releases growth hormone from rat pituitary in vitro.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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