Udp-N-Acetylmuramic Acid Pentapeptide
[CAS# 16124-22-4]

Identification

• Name: Udp-N-Acetylmuramic Acid Pentapeptide
• Synonyms: (7S)-3-[(3S)-3-[[(2R)-2-Acetamido-4-[(2R,3S,4R,5R,6S)-5-Amino-2-[[[[(2R,3S,4R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,6-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-2-Methyl-3-Oxo-Pentanoyl]Amino]-4-[[(1R)-2-[[(1R)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butyl]-2,7-Diamino-4-Oxo-Octanedioic Acid; (7S)-3-[(3S)-3-[[(2R)-2-Acetamido-4-[[(2R,3S,4R,5R,6S)-5-Amino-2-[[[[(2R,3S,4R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-3,6-Dihydroxy-4-Tetrahydropyranyl]Oxy]-2-Methyl-1,3-Dioxopentyl]Amino]-4-[[(1R)-2-[[(1R)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutyl]-2,7-Diamino-4-Oxooctanedioic Acid; (7S)-3-[(3S)-3-[[(2R)-2-Acetamido-4-[(2R,3S,4R,5R,6S)-5-Amino-2-[[[[(2R,3S,4R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,6-Dihydroxy-Tetrahydropyran-4-Yl]Oxy-3-Keto-2-Methyl-Pentanoyl]Amino]-4-[[(1R)-2-[[(1R)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyl]-2,7-Diamino-4-Keto-Suberic Acid
• Molecular Formula: C₄₁H₆₅N₉O₂₈P₂
• Molecular Weight: 1193.96
• CAS Registry Number: 16124-22-4
• SMILES: [C@](NC(=O)C)(C(=O)C(O[C@H]1[C@H](O)[C@H](O[C@H](O)[C@@H]1N)CO[P](O[P](OC[C@H]3OC(N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]3O)(=O)O)(=O)O)C)(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C)CCC(C(N)C(=O)O)C(=O)CC[C@H](N)C(=O)O)C
• InChI: 1S/C41H65N9O28P2/c1-14(32(58)46-15(2)35(60)61)45-33(59)20(8-6-18(25(43)37(64)65)21(52)9-7-19(42)36(62)63)47-39(67)41(5,49-17(4)51)31(57)16(3)75-30-26(44)38(66)77-23(28(30)55)13-74-80(71,72)78-79(69,70)73-12-22-27(54)29(56)34(76-22)50-11-10-24(53)48-40(50)68/h10-11,14-16,18-20,22-23,25-30,34,38,54-56,66H,6-9,12-13,42-44H2,1-5H3,(H,45,59)(H,46,58)(H,47,67)(H,49,51)(H,60,61)(H,62,63)(H,64,65)(H,69,70)(H,71,72)(H,48,53,68)/t14-,15-,16?,18?,19+,20+,22-,23-,25?,26-,27-,28-,29-,30-,34?,38+,41-/m1/s1
• InChIKey: KWIBRHGQCHIETC-CWSFPBCASA-N

Properties

• Density: 1.661g/cm³ (Cal.)