(2S)-2-[[(2S)-2-[[(2S)-2-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]-4-Methylsulfanylbutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoic Acid
[CAS# 146935-91-3]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]-4-Methylsulfanylbutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-4-(Methylthio)Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₃₂H₄₂N₄O₆S₂
• Molecular Weight: 642.83
• CAS Registry Number: 146935-91-3
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](N[S](C1=CC=CC2=C(N(C)C)C=CC=C12)(=O)=O)CCSC)=O)CC(C)C)=O)CC3=CC=CC=C3
• InChI: 1S/C32H42N4O6S2/c1-21(2)19-26(31(38)34-27(32(39)40)20-22-11-7-6-8-12-22)33-30(37)25(17-18-43-5)35-44(41,42)29-16-10-13-23-24(29)14-9-15-28(23)36(3)4/h6-16,21,25-27,35H,17-20H2,1-5H3,(H,33,37)(H,34,38)(H,39,40)/t25-,26-,27-/m0/s1
• InChIKey: RJWJQOGVZFUJSF-QKDODKLFSA-N

Properties

• Density: 1.262g/cm³ (Cal.)