N-[N-Acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl-D-γ-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanine

CAS Registry Number®

94102-64-4

CAS Name

N-[N-Acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl-D-γ-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanine

Molecular Formula

C37H59N7O20

Molecular Mass

921.90

Cite this Page

N-[N-Acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl-D-γ-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94102-64-4 (retrieved 2024-11-29) (CAS RN: 94102-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1

InChIKey

InChIKey=UPFMKPIBAIPLHT-RSJSDIDPSA-N

SMILES

O([C@H]1[C@H](O[C@@H](C(N[C@H](C(N[C@H](CCC(N[C@H](C(N[C@@H](C(O)=O)C)=O)CCC[C@H](C(O)=O)N)=O)C(O)=O)=O)C)=O)C)[C@@H](NC(C)=O)[C@]2(O[C@@]1(CO2)[H])[H])[C@H]3[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3

Canonical SMILES

O=C(O)C(NC(=O)C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(OC2OC(CO)C(O)C(O)C2NC(=O)C)C3OC(OC3)C1NC(=O)C)C)C)C(=O)O)CCCC(N)C(=O)O)C

Other Names for this Substance

  • D-Alanine, N-[N-acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl-D-γ-glutamyl-(6R)-6-carboxy-L-lysyl-
  • D-Alanine, N-[N2-[N-[N-[N-acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl]-D-γ-glutamyl]-(R)-6-carboxy-L-lysyl]-
  • 6,8-Dioxabicyclo[3.2.1]octane, D-alanine deriv.
  • N-[N-Acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-1,6-anhydro-β-muramoyl]-L-alanyl-D-γ-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanine

Deleted or Replaced CAS Registry Numbers

105488-56-0, 118013-66-4

CAS INSIGHTSTM
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