L-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-Threoninamide
[CAS# 113021-67-3]

Identification

• Name: L-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-Threoninamide
• Synonyms: (2S)-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]-N-[(1S)-2-[[(1S,2R)-1-Carbamoyl-2-Hydroxy-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Butanediamide; (2S)-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]-N-[(1S)-2-[[(1S,2R)-1-Carbamoyl-2-Hydroxypropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Butanediamide; (2S)-N-[(2S)-1-[[(2S,3R)-1-Amino-3-Hydroxy-1-Oxo-Butan-2-Yl]Amino]-3-(4-Hydroxyphenyl)-1-Oxo-Propan-2-Yl]-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]Butanediamide
• Molecular Formula: C₃₅H₅₆N₁₀O₁₅
• Molecular Weight: 856.89
• CAS Registry Number: 113021-67-3
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C)=O)CO)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)CC(=O)N)=O)CC1=CC=C(O)C=C1)=O)[C@@H](C)O
• InChI: 1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14+,15+,16+,17+,20-,21-,22-,24-,25-,26-,27-/m0/s1
• InChIKey: AKWRNBWMGFUAMF-LYKMMFCUSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 1514.303°C at 760 mmHg (Cal.)
• Flash point: 869.619°C (Cal.)