Dehydro-Ala(3)-Enkephalin
[CAS# 81851-82-3]

Identification

• Name: Dehydro-Ala(3)-Enkephalin
• Synonyms: (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Prop-2-Enoylamino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxoprop-2-Enyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acryloyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₉H₃₇N₅O₇
• Molecular Weight: 567.64
• CAS Registry Number: 81851-82-3
• SMILES: [C@H](CC1=CC=C(C=C1)O)(C(NCC(NC(C(N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)CC2=CC=CC=C2)=O)=C)=O)=O)N
• InChI: 1S/C29H37N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-26(37)18(3)32-25(36)16-31-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17,22-24,35H,3,13-16,30H2,1-2H3,(H,31,38)(H,32,36)(H,33,37)(H,34,39)(H,40,41)/t22-,23-,24-/m0/s1
• InChIKey: ZGDPUCIKMASGRG-HJOGWXRNSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 1011.543°C at 760 mmHg (Cal.)
• Flash point: 565.561°C (Cal.)