Methyl (2S)-2-[[(2S,3R)-3,7-Diamino-2-Hydroxyheptanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanylindol-3-Yl]Propanoate
[CAS# 138257-79-1]

Identification

• Name: Methyl (2S)-2-[[(2S,3R)-3,7-Diamino-2-Hydroxyheptanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanylindol-3-Yl]Propanoate
• Synonyms: Methyl (2S)-2-[[(2S,3R)-3,7-Diamino-2-Hydroxy-Heptanoyl]Amino]-3-[1-(2-Nitrophenyl)Sulfanylindol-3-Yl]Propanoate; (2S)-2-[[(2S,3R)-3,7-Diamino-2-Hydroxy-1-Oxoheptyl]Amino]-3-[1-[(2-Nitrophenyl)Thio]-3-Indolyl]Propanoic Acid Methyl Ester; (2S)-2-[[(2S,3R)-3,7-Diamino-2-Hydroxy-Heptanoyl]Amino]-3-[1-[(2-Nitrophenyl)Thio]Indol-3-Yl]Propionic Acid Methyl Ester
• Molecular Formula: C₂₅H₃₁N₅O₆S
• Molecular Weight: 529.61
• CAS Registry Number: 138257-79-1
• SMILES: [C@H](NC(=O)[C@@H](O)[C@H](N)CCCCN)(CC2=C[N](SC1=CC=CC=C1[N+]([O-])=O)C3=CC=CC=C23)C(OC)=O
• InChI: 1S/C25H31N5O6S/c1-36-25(33)19(28-24(32)23(31)18(27)9-6-7-13-26)14-16-15-29(20-10-3-2-8-17(16)20)37-22-12-5-4-11-21(22)30(34)35/h2-5,8,10-12,15,18-19,23,31H,6-7,9,13-14,26-27H2,1H3,(H,28,32)/t18-,19+,23+/m1/s1
• InChIKey: MFFKDZWEEBNNMI-MSYCTHLASA-N

Properties

• Density: 1.411g/cm³ (Cal.)