undecaprenyl biphosphate-N-acetylmuramoyl-pentapeptide

HCID 129011012

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Basic information

CAS: 83919-28-2
Standard SMILES: CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)O
InChIKey: QSVYTJPCVMYPIS-LZUDKUPTSA-N
Molecular formula: C87H143N7O23P2
Average molar mass: 1,717 g/mol
Monoisotopic mass: 1,715.97105783

Overview

murein precursor

Names & identifiers

Preferred name: undecaprenyl biphosphate-N-acetylmuramoyl-pentapeptide
IUPAC: (2R,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid

Names & synonyms

Udamp pentapeptideBacterial lipid IPentapeptide lipid IUndecaprenyl-P-P-mur-nac-pentapeptideNAM-pentapeptide-undecaprenyl biphosphateNAM-pentapeptide-undecaprenyl diphosphateMurnac(pentapeptide)-pyrophosphate-undecaprenolUndecaprenyl biphosphate-N-acetylmuramoyl-pentapeptideRefChem:19309983919-28-2D-Alanine, N-(N-acetyl-1-O-(1,3-dihydroxy-7,11,15,19,23,27,31,35,39,43,47-undecamethyl-2,4-dioxa-1,3-diphosphaoctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-yl)-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-mesa-alpha,epsilon-diaminopimelyl-D-alanyl-, P,P'-dioxide

Database identifiers

CAS: 83919-28-2
PubChem CID: 129011012

Properties

Computed structural properties

XLogP: 11.7
Topological polar surface area: 474 Å²
Hydrogen bond donors: 14
Hydrogen bond acceptors: 24
Rotatable bonds: 60
Heavy atoms: 119
Formal charge: 0
Complexity: 3,740

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