N,N-Bis(allyl)-tyrosyl-glycyl-glycyl-psi-methylthio-phenylalanyl-leucine
[CAS# 83420-94-4]

Identification

• Name: N,N-Bis(allyl)-tyrosyl-glycyl-glycyl-psi-methylthio-phenylalanyl-leucine
• Synonyms: (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-(Diallylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Ethylsulfanyl]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-(Diallylamino)-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]Ethylthio]-1-Oxo-3-Phenylpropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-(Diallylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Ethylthio]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₃₄H₄₆N₄O₆S
• Molecular Weight: 638.82
• CAS Registry Number: 83420-94-4
• SMILES: [C@@H](N(CC=C)CC=C)(C(=O)NCC(=O)NCCS[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC1=CC=CC=C1)CC2=CC=C(O)C=C2
• InChI: 1S/C34H46N4O6S/c1-5-17-38(18-6-2)29(21-26-12-14-27(39)15-13-26)32(41)36-23-31(40)35-16-19-45-30(22-25-10-8-7-9-11-25)33(42)37-28(34(43)44)20-24(3)4/h5-15,24,28-30,39H,1-2,16-23H2,3-4H3,(H,35,40)(H,36,41)(H,37,42)(H,43,44)/t28-,29-,30-/m0/s1
• InChIKey: CZRZYRKTYLLLRL-DTXPUJKBSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 929.425°C at 760 mmHg (Cal.)
• Flash point: 515.898°C (Cal.)
• solubility: Soluble to 1 mg/ml in methanol