Methyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxopentanoyl]Amino]-3-(4-Azido-3-Iodophenyl)Propanoate
[CAS 111364-35-3]

Identification

• Name: Methyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxopentanoyl]Amino]-3-(4-Azido-3-Iodophenyl)Propanoate
• Synonyms: Methyl (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoyl]Amino]-3-(4-Azido-3-Iodo-Phenyl)Propanoate; (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-1,5-Dioxopentyl]Amino]-3-(4-Azido-3-Iodophenyl)Propanoic Acid Methyl Ester; (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Keto-Pentanoyl]Amino]-3-(4-Azido-3-Iodo-Phenyl)Propionic Acid Methyl Ester
• Molecular Formula: C₂₉H₄₁IN₈O₁₂
• Molecular Weight: 820.59
• CAS Registry Number: 111364-35-3
• SMILES: [C@H](C(=O)OC)(NC([C@H](NC([C@@H](NC(C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)C)=O)C)=O)CCC(=O)N)=O)CC2=CC=C(C(=C2)I)N=[N+]=[N-]
• InChI: 1S/C29H41IN8O12/c1-12(33-26(44)13(2)49-24-22(34-14(3)40)29(47)50-20(11-39)23(24)42)25(43)35-18(7-8-21(31)41)27(45)36-19(28(46)48-4)10-15-5-6-17(37-38-32)16(30)9-15/h5-6,9,12-13,18-20,22-24,29,39,42,47H,7-8,10-11H2,1-4H3,(H2,31,41)(H,33,44)(H,34,40)(H,35,43)(H,36,45)/t12-,13?,18+,19-,20+,22+,23+,24+,29-/m0/s1
• InChIKey: MEGPXSZNPPLVTD-MMKTZVEFSA-N