(2S)-2-[[(2R)-2-[[(3S)-3-Amino-2-Oxopentanoyl]Amino]-4-Methylpentanoyl]-[(2S,6S)-2,6-Diamino-3,7-Dimethyl-5-Oxooctanoyl]Amino]-3-Methylbutanoic Acid
[CAS# 135219-43-1]

Identification

• Name: (2S)-2-[[(2R)-2-[[(3S)-3-Amino-2-Oxopentanoyl]Amino]-4-Methylpentanoyl]-[(2S,6S)-2,6-Diamino-3,7-Dimethyl-5-Oxooctanoyl]Amino]-3-Methylbutanoic Acid
• Synonyms: (2S)-2-[[(2R)-2-[[(3S)-3-Amino-2-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S,6S)-2,6-Diamino-3,7-Dimethyl-5-Oxo-Octanoyl]Amino]-3-Methyl-Butanoic Acid; (2S)-2-[[(2R)-2-[[(3S)-3-Amino-1,2-Dioxopentyl]Amino]-4-Methyl-1-Oxopentyl]-[(2S,6S)-2,6-Diamino-3,7-Dimethyl-1,5-Dioxooctyl]Amino]-3-Methylbutanoic Acid; (2S)-2-[[(2R)-2-[[(3S)-3-Amino-2-Keto-Pentanoyl]Amino]-4-Methyl-Pentanoyl]-[(2S,6S)-2,6-Diamino-5-Keto-3,7-Dimethyl-Octanoyl]Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₂₆H₄₇N₅O₇
• Molecular Weight: 541.69
• CAS Registry Number: 135219-43-1
• SMILES: [C@H](C(=O)O)(N(C([C@H](NC(C([C@H](CC)N)=O)=O)CC(C)C)=O)C([C@@H](N)C(C)CC([C@@H](N)C(C)C)=O)=O)C(C)C
• InChI: 1S/C26H47N5O7/c1-9-16(27)22(33)23(34)30-17(10-12(2)3)24(35)31(21(14(6)7)26(37)38)25(36)20(29)15(8)11-18(32)19(28)13(4)5/h12-17,19-21H,9-11,27-29H2,1-8H3,(H,30,34)(H,37,38)/t15?,16-,17+,19-,20-,21-/m0/s1
• InChIKey: UNPBSZUDTFBULK-CZCKBYKRSA-N

Properties

• Density: 1.156g/cm³ (Cal.)