2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-Threonine
[CAS# 121197-29-3]

Identification

• Name: 2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-Threonine
• Synonyms: (2S,3R)-2-[[(2S)-2-[[(2S)-4-Amino-2-[[(2S,3R)-2-[[(2S)-2-Aminobutanoyl]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)-2-Amino-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)-4-Amino-2-[[(2S,3R)-2-[[(2S)-2-Aminobutanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Butyric Acid
• Molecular Formula: C₂₅H₃₈N₆O₁₀
• Molecular Weight: 582.61
• CAS Registry Number: 121197-29-3
• SMILES: [C@H](NC([C@H](CC1=CC=C(O)C=C1)NC([C@@H](NC([C@@H](NC([C@H](CC)N)=O)[C@@H](C)O)=O)CC(N)=O)=O)=O)([C@@H](C)O)C(O)=O
• InChI: 1S/C25H38N6O10/c1-4-15(26)21(36)30-19(11(2)32)24(39)29-17(10-18(27)35)22(37)28-16(9-13-5-7-14(34)8-6-13)23(38)31-20(12(3)33)25(40)41/h5-8,11-12,15-17,19-20,32-34H,4,9-10,26H2,1-3H3,(H2,27,35)(H,28,37)(H,29,39)(H,30,36)(H,31,38)(H,40,41)/t11-,12-,15+,16+,17+,19+,20+/m1/s1
• InChIKey: XXIBUOIZUUIWCD-QJYAINQKSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 1139.605°C at 760 mmHg (Cal.)
• Flash point: 643.01°C (Cal.)