(2R)-2-[[(2R)-2-[[(2S)-6-Acetamido-2-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]Hexanoyl]Amino]Propanoyl]Amino]Propanoic Acid
[CAS# 111290-37-0]

Identification

• Name: (2R)-2-[[(2R)-2-[[(2S)-6-Acetamido-2-[(5-Dimethylaminonaphthalen-1-Yl)Sulfonylamino]Hexanoyl]Amino]Propanoyl]Amino]Propanoic Acid
• Synonyms: (2R)-2-[[(2R)-2-[[(2S)-6-Acetamido-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Hexanoyl]Amino]Propanoyl]Amino]Propanoic Acid; (2R)-2-[[(2R)-2-[[(2S)-6-Acetamido-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]-1-Oxohexyl]Amino]-1-Oxopropyl]Amino]Propanoic Acid; (2R)-2-[[(2R)-2-[[(2S)-6-Acetamido-2-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]Hexanoyl]Amino]Propanoyl]Amino]Propionic Acid
• Molecular Formula: C₂₆H₃₇N₅O₇S
• Molecular Weight: 563.67
• CAS Registry Number: 111290-37-0
• SMILES: [C@@H](C(=O)O)(NC([C@H](NC([C@@H](N[S](=O)(=O)C1=C2C(=CC=C1)C(=CC=C2)N(C)C)CCCCNC(=O)C)=O)C)=O)C
• InChI: 1S/C26H37N5O7S/c1-16(24(33)29-17(2)26(35)36)28-25(34)21(12-6-7-15-27-18(3)32)30-39(37,38)23-14-9-10-19-20(23)11-8-13-22(19)31(4)5/h8-11,13-14,16-17,21,30H,6-7,12,15H2,1-5H3,(H,27,32)(H,28,34)(H,29,33)(H,35,36)/t16-,17-,21+/m1/s1
• InChIKey: JHYGBCRNVDOZKC-LZJOCLMNSA-N

Properties

• Density: 1.28g/cm³ (Cal.)