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Substance Name: Pacidamycin 2
RN: 121264-06-0
InChIKey: UPVIDDRLFOAKCB-GONQTVQMSA-N

Note

  • Isolated from Streptomyces coeruleorubidus; has anti-Pseudomonas aeruginosa activity.

Molecular Formula

  • C39-H49-N9-O12

Molecular Weight

  • 835.867
 
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Names and Synonyms

Name of Substance

  • Pacidamycin 2

Synonym

  • N-(((1-Carboxy-2-phenylethyl)amino)carbonyl)alanyl-N3-(N-alanyl-3-hydroxyphenylalanyl)-N-((5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene)methyl)-N3-methyl-2,3-diaminobutanamide

Systematic Name

  • Butanamide, N-(((1-carboxy-2-phenylethyl)amino)carbonyl)alanyl-N3-(N-alanyl-3-hydroxyphenylalanyl)-N-((5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene)methyl)-N3-methyl-2,3-diamino-

Registry Numbers

CAS Registry Number

  • 121264-06-0

System Generated Number

  • 0121264060

Structure Descriptors

InChI

1S/C39H49N9O12/c1-20(40)29(50)18-28(46(3)34(54)26(43-33(53)21(2)41)16-23-10-7-11-24(49)14-23)32(42)35(55)48(38(58)44-27(37(56)57)15-22-8-5-4-6-9-22)19-25-17-30(51)36(60-25)47-13-12-31(52)45-39(47)59/h4-14,19-21,26-28,30,32,36,49,51H,15-18,40-42H2,1-3H3,(H,43,53)(H,44,58)(H,56,57)(H,45,52,59)/b25-19+/t20-,21-,26-,27?,28?,30?,32?,36?/m0/s1

InChIKey

UPVIDDRLFOAKCB-GONQTVQMSA-N

Smiles

C([C@@H]([C@@H](CC([C@@H](N)C)=O)N(C)C([C@@H](NC([C@@H](N)C)=O)Cc1cc(ccc1)O)=O)N)(=O)N(\C=C1\O[C@@H]([C@@H](C1)O)n1ccc([nH]c1=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O