(2S)-2-[[(2S)-1-[(2R)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methylbutanoic Acid
[CAS# 102962-95-8]

Identification

• Name: (2S)-2-[[(2S)-1-[(2R)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methylbutanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2R)-2-[2-(Hydroxyamino)-2-Oxo-Ethyl]-4-Methyl-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[[(2S)-1-[(2R)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methyl-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2S)-1-[(2R)-2-[2-(Hydroxyamino)-2-Keto-Ethyl]-4-Methyl-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₁₈H₃₁N₃O₆
• Molecular Weight: 385.46
• CAS Registry Number: 102962-95-8
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C([C@H](CC(C)C)CC(=O)NO)=O)=O)C(C)C
• InChI: 1S/C18H31N3O6/c1-10(2)8-12(9-14(22)20-27)17(24)21-7-5-6-13(21)16(23)19-15(11(3)4)18(25)26/h10-13,15,27H,5-9H2,1-4H3,(H,19,23)(H,20,22)(H,25,26)/t12-,13+,15+/m1/s1
• InChIKey: PYYCBPABFFOXLZ-IPYPFGDCSA-N

Properties

• Density: 1.221g/cm³ (Cal.)