L-Tyrosyl-D-alanylglycyl-N-pentyl-L-Phenylalaninamide
[CAS# 66229-24-1]

Identification

• Name: L-Tyrosyl-D-alanylglycyl-N-pentyl-L-Phenylalaninamide
• Synonyms: (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-(Pentylamino)-3-Phenyl-Propanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-2-(Pentylamino)-3-Phenylpropanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-(Amylamino)-3-Phenyl-Propionamide
• Molecular Formula: C₂₈H₃₉N₅O₅
• Molecular Weight: 525.65
• CAS Registry Number: 66229-24-1
• SMILES: [C@@H](NCCCCC)(C(=O)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)CC2=CC=CC=C2
• InChI: 1S/C28H39N5O5/c1-3-4-8-15-30-24(17-20-9-6-5-7-10-20)28(38)33-25(35)18-31-26(36)19(2)32-27(37)23(29)16-21-11-13-22(34)14-12-21/h5-7,9-14,19,23-24,30,34H,3-4,8,15-18,29H2,1-2H3,(H,31,36)(H,32,37)(H,33,35,38)/t19-,23+,24+/m1/s1
• InChIKey: XKCFZJJIXXCIHU-YGOYIFOWSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 832.476°C at 760 mmHg (Cal.)
• Flash point: 457.265°C (Cal.)