L-Ornithyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-Methioninamide
[CAS# 102979-72-6]

Identification

• Name: L-Ornithyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-Methioninamide
• Synonyms: (2S)-N-[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-Diaminopentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanamide; (2S)-N-[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-Diamino-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]-4-Methylpentanamide; (2S)-N-[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-Diaminopentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-4-Methyl-Valeramide
• Molecular Formula: C₃₆H₅₄N₈O₆S
• Molecular Weight: 726.93
• CAS Registry Number: 102979-72-6
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](N)CCCN)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)=O)CC(C)C)=O)CCSC
• InChI: 1S/C36H54N8O6S/c1-23(2)19-28(35(49)42-27(32(39)46)16-18-51-3)41-31(45)22-40-34(48)29(20-24-11-6-4-7-12-24)44-36(50)30(21-25-13-8-5-9-14-25)43-33(47)26(38)15-10-17-37/h4-9,11-14,23,26-30H,10,15-22,37-38H2,1-3H3,(H2,39,46)(H,40,48)(H,41,45)(H,42,49)(H,43,47)(H,44,50)/t26-,27-,28-,29-,30-/m0/s1
• InChIKey: HPOCYHUDQWANBX-IIZANFQQSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 1142.363°C at 760 mmHg (Cal.)
• Flash point: 644.678°C (Cal.)