Udmnad pentapeptide

(2S)-2-[[(2S)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-1-[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-2-methyl-3-oxopentylidene]amino]-5-[[(2S)-1-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Also Known As: Udmnad pentapeptide|Undecaprenyl diphosphate-murnac-(N(epsilon)-dansyl)pentapeptide|(2S)-2-[[(2S)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-1-[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-2-methyl-3-oxopentylidene]amino]-5-[[(2S)-1-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid|Undecaprenyl diphosphate-N-acetylmuramyl-(N(epsilon)-dansyl)pentapeptide|Undecaprenyl diphosphate-N-acetylmuramoyl-(5-dimethylaminonaphthalene-1-sulfonyl)pentapeptide|(2S)-2-[[(2S)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-1-[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-2-methyl-3-oxopentylidene]amino]-5-[[(2S)-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-[[(2R)-1-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid|D-Alanine, N-(N-(N2-(N-(N-(N-acetyl-1-O-(hydroxy((hydroxy((3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaenyl)oxy)phosphinyl)oxy)phosphinyl)-alpha-muramoyl)-L-alanyl)-D-gamma-glutamyl)-N6-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-L-lysyl)-D-alanyl)-|Undecaprenyl diphosphate-N-acetylmuramoyl-(5- dimethylaminonaphthalene-1-sulfonyl)pentapeptide

Molecular Formula	C98H154N8O23P2S
Molecular Weight	1905.0322 g/mol
LogP	16.6822
Topological Polar Surface Area	477.3 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	22
Rotatable Bonds	62
Exact Mass	1905.0322
Monoisotopic Mass	1906.0356
Heavy Atoms	132
Complexity	4748.685

Chemical Identifiers

CAS Number	65717-73-9
SMILES	C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)NC(=O)CC[C@@H](C(=O)O)N=C([C@@](C)(C(=O)C(C)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O)N)NC(=O)C)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