N-(N-(N-(N-(N2-L-Tyrosyl-L-asparaginyl)-L-leucyl)-L-threonyl)-L-seryl)-L-Valine
[CAS# 71487-43-9]

Identification

• Name: N-(N-(N-(N-(N2-L-Tyrosyl-L-asparaginyl)-L-leucyl)-L-threonyl)-L-seryl)-L-Valine
• Synonyms: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Oxo-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1,4-Dioxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Keto-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₃₁H₄₉N₇O₁₁
• Molecular Weight: 695.77
• CAS Registry Number: 71487-43-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)CC(=O)N)=O)CC(C)C)=O)[C@@H](C)O)=O)CO)=O)C(C)C
• InChI: 1S/C31H49N7O11/c1-14(2)10-20(35-27(44)21(12-23(33)42)34-26(43)19(32)11-17-6-8-18(41)9-7-17)28(45)38-25(16(5)40)30(47)36-22(13-39)29(46)37-24(15(3)4)31(48)49/h6-9,14-16,19-22,24-25,39-41H,10-13,32H2,1-5H3,(H2,33,42)(H,34,43)(H,35,44)(H,36,47)(H,37,46)(H,38,45)(H,48,49)/t16-,19+,20+,21+,22+,24+,25+/m1/s1
• InChIKey: XALFCHBBUSVMCF-WZLZMYGESA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 1201.136°C at 760 mmHg (Cal.)
• Flash point: 680.222°C (Cal.)