N-(N-(N-(N-L-Tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-valine
[CAS# 78859-44-6]

Identification

• Name: N-(N-(N-(N-L-Tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-valine
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₂₈H₃₇N₅O₇
• Molecular Weight: 555.63
• CAS Registry Number: 78859-44-6
• SMILES: [C@@H](N)(C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC1=CC=CC=C1)CC2=CC=C(C=C2)O
• InChI: 1S/C28H37N5O7/c1-16(2)24(28(39)40)33-27(38)22(14-18-7-5-4-6-8-18)32-23(35)15-30-25(36)17(3)31-26(37)21(29)13-19-9-11-20(34)12-10-19/h4-12,16-17,21-22,24,34H,13-15,29H2,1-3H3,(H,30,36)(H,31,37)(H,32,35)(H,33,38)(H,39,40)/t17-,21-,22-,24-/m0/s1
• InChIKey: XHDRKORKDYVTIB-RTRGAHGLSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 992.871°C at 760 mmHg (Cal.)
• Flash point: 554.268°C (Cal.)