(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-[2-(2-Nitrophenyl)Sulfanyl-1H-Indol-3-Yl]Propanoic Acid
[CAS# 103088-69-3]

Identification

• Name: (2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-[2-(2-Nitrophenyl)Sulfanyl-1H-Indol-3-Yl]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-3-[2-[(2-Nitrophenyl)Thio]-1H-Indol-3-Yl]Propanoic Acid; (2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-[2-[(2-Nitrophenyl)Thio]-1H-Indol-3-Yl]Propionic Acid; 2-Nitrophenylsulfenyl-Lys-Trp
• Molecular Formula: C₂₃H₂₇N₅O₅S
• Molecular Weight: 485.56
• CAS Registry Number: 103088-69-3
• SMILES: [C@H](C(=O)O)(NC([C@@H](N)CCCCN)=O)CC1=C([NH]C2=CC=CC=C12)SC3=CC=CC=C3[N+](=O)[O-]
• InChI: 1S/C23H27N5O5S/c24-12-6-5-8-16(25)21(29)26-18(23(30)31)13-15-14-7-1-2-9-17(14)27-22(15)34-20-11-4-3-10-19(20)28(32)33/h1-4,7,9-11,16,18,27H,5-6,8,12-13,24-25H2,(H,26,29)(H,30,31)/t16-,18-/m0/s1
• InChIKey: CHVWOPBJBLZQTR-WMZOPIPTSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 777.093°C at 760 mmHg (Cal.)
• Flash point: 423.771°C (Cal.)