L-Alanyl-L-Seryl-L-Threonyl-L-Threonyl-L-Threonyl-L-Asparaginyl-L-Tyrosyl-L-Threonine
[CAS# 106362-32-7]

Identification

• Name: L-Alanyl-L-Seryl-L-Threonyl-L-Threonyl-L-Threonyl-L-Asparaginyl-L-Tyrosyl-L-Threonine
• Synonyms: (2S,3R)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1,4-Dioxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Hydroxybutanoic Acid; (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-(Alanylamino)-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Amino-4-Keto-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₃₅H₅₅N₉O₁₆
• Molecular Weight: 857.87
• CAS Registry Number: 106362-32-7
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CO)[C@H](O)C)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC1=CC=C(O)C=C1)CC(=O)N)[C@H](O)C)[C@H](O)C
• InChI: 1S/C35H55N9O16/c1-13(36)28(52)40-22(12-45)31(55)41-25(15(3)47)33(57)43-26(16(4)48)34(58)42-24(14(2)46)32(56)39-21(11-23(37)51)29(53)38-20(10-18-6-8-19(50)9-7-18)30(54)44-27(17(5)49)35(59)60/h6-9,13-17,20-22,24-27,45-50H,10-12,36H2,1-5H3,(H2,37,51)(H,38,53)(H,39,56)(H,40,52)(H,41,55)(H,42,58)(H,43,57)(H,44,54)(H,59,60)/t13-,14+,15+,16+,17+,20-,21-,22-,24-,25-,26-,27-/m0/s1
• InChIKey: IWHCAJPPWOMXNW-LYKMMFCUSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 1499.48°C at 760 mmHg (Cal.)
• Flash point: 860.655°C (Cal.)