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: 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 76338-79-9
• MDL Number: MFCD00133893
• PubChem SID: 162226546; 24900291
• PubChem CID: 3348730

CALCULATED PROPERTIES

• Acid pKa: 9.509491
• H Acceptors: 7
• H Donor: 9
• LogD (pH = 5.5): 0.81527936
• LogD (pH = 7.4): 2.4860854
• Log P: 2.8472388
• Molar Refractivity: 214.139 cm^3
• Polarizability: 85.30931 Å^3
• Polar Surface Area: 237.32 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (HPLC)

DETAILS

Sigma Aldrich - T5517

Biochem/physiol Actions
Releases growth hormone from rat pituitary in vitro.