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Substance Name: Udp-N-acetylmuramic acid pentapeptide
RN: 16124-22-4
InChIKey: KWIBRHGQCHIETC-CWSFPBCASA-N

Molecular Formula

  • C41-H65-N9-O28-P2

Molecular Weight

  • 1193.95
 
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Names and Synonyms

Name of Substance

  • Udp-N-acetylmuramic acid pentapeptide

Synonyms

  • UDP-murnac-pentapeptide
  • Udp-N-acetylmuramic acid pentapeptides

Systematic Name

  • D-Alanine, N-(N-(N2-(N-(N-(N-acetyl-alpha-muramoyl)-L-alanyl)-D-gamma-glutamyl)-(R*,S*)-6-carboxylysyl)-D-alanyl)-, 1'-P'-ester with uridine 5'-(trihydrogen diphosphate)

Registry Numbers

CAS Registry Number

  • 16124-22-4

System Generated Number

  • 0016124224

Structure Descriptors

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

Smiles

C(O[P@@](=O)(O[P@@](=O)(OC[C@@H]1[C@H]([C@H](O[C@@H](C(=O)[C@@](NC(=O)C)(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C)CC[C@@H]([C@@H](N)C(=O)O)C(CC[C@H](N)C(=O)O)=O)C)C)[C@H]([C@H](O1)O)N)O)O)O)[C@H]1O[C@@H]([C@@H](O)[C@@H]1O)n1c(=O)[nH]c(=O)cc1