N-Octanoyl-Asparaginyl-Tyrosyl-Threoninamide
[CAS# 117978-19-5]

Identification

• Name: N-Octanoyl-Asparaginyl-Tyrosyl-Threoninamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S,2R)-1-Carbamoyl-2-Hydroxy-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]-2-(Octanoylamino)Butanediamide; (2S)-N-[(1S)-2-[[(1S,2R)-1-Carbamoyl-2-Hydroxypropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]-2-(1-Oxooctylamino)Butanediamide; (2S)-2-(Caprylylamino)-N-[(1S)-2-[[(1S,2R)-1-Carbamoyl-2-Hydroxy-Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Succinamide
• Molecular Formula: C₂₅H₃₉N₅O₇
• Molecular Weight: 521.61
• CAS Registry Number: 117978-19-5
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC(CCCCCCC)=O)CC(=O)N)=O)CC1=CC=C(O)C=C1)=O)[C@@H](C)O
• InChI: 1S/C25H39N5O7/c1-3-4-5-6-7-8-21(34)28-19(14-20(26)33)24(36)29-18(13-16-9-11-17(32)12-10-16)25(37)30-22(15(2)31)23(27)35/h9-12,15,18-19,22,31-32H,3-8,13-14H2,1-2H3,(H2,26,33)(H2,27,35)(H,28,34)(H,29,36)(H,30,37)/t15-,18+,19+,22+/m1/s1
• InChIKey: CHARWFGRYUJKEC-KRDZULTMSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 987.995°C at 760 mmHg (Cal.)
• Flash point: 551.319°C (Cal.)