Tyrosyl-Alanyl Glycyl-Phenylalaninamide-Propyl-Phenylalaninamide-Glycyl-Alanyl-Tyrosine
[CAS# 83916-02-3]

Identification

• Name: Tyrosyl-Alanyl Glycyl-Phenylalaninamide-Propyl-Phenylalaninamide-Glycyl-Alanyl-Tyrosine
• Synonyms: (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-[3-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]Propylamino]-3-Phenyl-Propanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-2-[3-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Propylamino]-3-Phenylpropanamide; (2S)-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-2-[3-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]Propylamino]-3-Phenyl-Propionamide
• Molecular Formula: C₄₉H₆₂N₁₀O₁₀
• Molecular Weight: 951.09
• CAS Registry Number: 83916-02-3
• SMILES: [C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)(C(=O)NCCCN[C@H](C(=O)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4
• InChI: 1S/C49H62N10O10/c1-30(56-46(66)38(50)24-34-14-18-36(60)19-15-34)44(64)54-28-42(62)58-41(27-33-12-7-4-8-13-33)48(68)53-23-9-22-52-40(26-32-10-5-3-6-11-32)49(69)59-43(63)29-55-45(65)31(2)57-47(67)39(51)25-35-16-20-37(61)21-17-35/h3-8,10-21,30-31,38-41,52,60-61H,9,22-29,50-51H2,1-2H3,(H,53,68)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,62)(H,59,63,69)/t30-,31-,38+,39+,40+,41+/m1/s1
• InChIKey: VOYMHBFXEYODFE-NZLBFSCJSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 1354.987°C at 760 mmHg (Cal.)
• Flash point: 773.268°C (Cal.)