Methyl (2S)-2-[[(2S)-2,6-Diaminohexyl]Amino]-3-[2-(2-Nitrophenyl)Sulfanyl-1H-Indol-3-Yl]Propanoate
[CAS# 141365-20-0]

Identification

• Name: Methyl (2S)-2-[[(2S)-2,6-Diaminohexyl]Amino]-3-[2-(2-Nitrophenyl)Sulfanyl-1H-Indol-3-Yl]Propanoate
• Synonyms: (2S)-2-[[(2S)-2,6-Diaminohexyl]Amino]-3-[2-[(2-Nitrophenyl)Thio]-1H-Indol-3-Yl]Propanoic Acid Methyl Ester; (2S)-2-[[(2S)-2,6-Diaminohexyl]Amino]-3-[2-[(2-Nitrophenyl)Thio]-1H-Indol-3-Yl]Propionic Acid Methyl Ester; Lysyl-Psi(Ch2nh)-2-Nitrophenylsulfenyltryptophyl Methyl Ester
• Molecular Formula: C₂₄H₃₁N₅O₄S
• Molecular Weight: 485.60
• CAS Registry Number: 141365-20-0
• SMILES: [C@H](C(=O)OC)(NC[C@H](CCCCN)N)CC1=C([NH]C2=CC=CC=C12)SC3=CC=CC=C3[N+](=O)[O-]
• InChI: 1S/C24H31N5O4S/c1-33-24(30)20(27-15-16(26)8-6-7-13-25)14-18-17-9-2-3-10-19(17)28-23(18)34-22-12-5-4-11-21(22)29(31)32/h2-5,9-12,16,20,27-28H,6-8,13-15,25-26H2,1H3/t16-,20-/m0/s1
• InChIKey: ZLPYAPQORXGARX-JXFKEZNVSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 685.683°C at 760 mmHg (Cal.)
• Flash point: 368.488°C (Cal.)