Pressinamide
[CAS# 27759-18-8]

Identification

• Name: Pressinamide
• Synonyms: (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-Amino-2-Oxo-1-(Sulfanylmethyl)Ethyl]Carbamoyl]-3-Oxo-Propyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Thioxo-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[[(1R)-2-Amino-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-Oxomethyl]-3-Oxopropyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-1-Oxo-3-Thioxopropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-Amino-2-Keto-1-(Mercaptomethyl)Ethyl]Carbamoyl]-3-Keto-Propyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Amino-3-Thioxo-Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]Glutaramide
• Molecular Formula: C₃₃H₄₃N₉O₉S₂
• Molecular Weight: 773.88
• CAS Registry Number: 27759-18-8
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C=S)=O)CC1=CC=C(O)C=C1)=O)CC2=CC=CC=C2)=O)CCC(=O)N)=O)CC(=O)N)=O)CS
• InChI: 1S/C33H43N9O9S2/c34-20(15-52)29(47)39-22(13-18-6-8-19(43)9-7-18)32(50)40-23(12-17-4-2-1-3-5-17)31(49)38-21(10-11-26(35)44)30(48)41-24(14-27(36)45)33(51)42-25(16-53)28(37)46/h1-9,15,20-25,43,53H,10-14,16,34H2,(H2,35,44)(H2,36,45)(H2,37,46)(H,38,49)(H,39,47)(H,40,50)(H,41,48)(H,42,51)/t20-,21-,22-,23-,24-,25-/m0/s1
• InChIKey: FIOYAHRQRSQYSO-OOPVGHQCSA-N

Properties

• Density: 1.401g/cm³ (Cal.)