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Substance Name: 7-((N(5)-Acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-phenylglycyl)amino)-1-carba-3-chloro-3-cephem-4-carboxylic acid
RN: 124650-78-8
InChIKey: DQOXUGOXTGBEFM-XZZUKVBXSA-N

Note

  • Siderophore beta-lactam conjugate.

Molecular Formula

  • C37-H52-Cl-N9-O13

Molecular Weight

  • 866.3208
 
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Names and Synonyms

Name of Substance

  • 7-((N(5)-Acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-phenylglycyl)amino)-1-carba-3-chloro-3-cephem-4-carboxylic acid

Synonyms

  • (6R-trans)-N5-Acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N-(2-carboxy-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-en-7-yl)-D-2-phenylglycinamide
  • Aoaocc

Systematic Name

  • Glycinamide, N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N5-acetyl-N5-hydroxy-L-ornithyl-N-(2-carboxy-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-en-7-yl)-D-2-phenyl-, (6R-trans)-

Registry Numbers

CAS Registry Number

  • 124650-78-8

System Generated Number

  • 0124650788

Structure Descriptors

InChI

1S/C37H52ClN9O13/c1-20(48)42(58)17-7-12-25(39)32(51)46(31-28-16-15-24(38)30(37(56)57)45(28)36(31)55)29(23-10-5-4-6-11-23)35(54)47(33(52)26(40)13-8-18-43(59)21(2)49)34(53)27(41)14-9-19-44(60)22(3)50/h4-6,10-11,25-29,31,58-60H,7-9,12-19,39-41H2,1-3H3,(H,56,57)/t25-,26-,27-,28+,29-,31?/m0/s1

InChIKey

DQOXUGOXTGBEFM-XZZUKVBXSA-N

Smiles

CC(=O)N(CCC[C@@H](C(=O)N(C1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl)[C@@H](c3ccccc3)C(=O)N(C(=O)[C@H](CCCN(C(=O)C)O)N)C(=O)[C@H](CCCN(C(=O)C)O)N)N)O