(2S)-2-[[(2S)-2-[(4-Butoxybenzoyl)Amino]-3-Phenylpropanoyl]Amino]-4-Methylsulfanylbutanoic Acid
[CAS# 172798-64-0]

Identification

• Name: (2S)-2-[[(2S)-2-[(4-Butoxybenzoyl)Amino]-3-Phenylpropanoyl]Amino]-4-Methylsulfanylbutanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[(4-Butoxybenzoyl)Amino]-3-Phenyl-Propanoyl]Amino]-4-Methylsulfanyl-Butanoic Acid; (2S)-2-[[(2S)-2-[[(4-Butoxyphenyl)-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-(Methylthio)Butanoic Acid; (2S)-2-[[(2S)-2-[(4-Butoxybenzoyl)Amino]-3-Phenyl-Propanoyl]Amino]-4-(Methylthio)Butyric Acid
• Molecular Formula: C₂₅H₃₂N₂O₅S
• Molecular Weight: 472.60
• CAS Registry Number: 172798-64-0
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(C1=CC=C(C=C1)OCCCC)=O)CC2=CC=CC=C2)=O)CCSC
• InChI: 1S/C25H32N2O5S/c1-3-4-15-32-20-12-10-19(11-13-20)23(28)27-22(17-18-8-6-5-7-9-18)24(29)26-21(25(30)31)14-16-33-2/h5-13,21-22H,3-4,14-17H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)/t21-,22-/m0/s1
• InChIKey: RNTQOGGYJIBDES-VXKWHMMOSA-N