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Substance Name: Pacidamycin 3
RN: 121280-49-7
InChIKey: YSDRMMXKDVSBJZ-VTBPMDGBSA-N

Note

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

Molecular Formula

  • C39-H49-N9-H13

Molecular Weight

  • 851.8661
 
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Names and Synonyms

Name of Substance

  • Pacidamycin 3

Systematic Name

  • Butanamide, N-(((1-carboxy-2-(3-hydroxyphenyl)ethyl)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

  • 121280-49-7

System Generated Number

  • 0121280497

Structure Descriptors

InChI

1S/C39H49N9O13/c1-19(40)29(51)17-28(46(3)34(55)26(43-33(54)20(2)41)14-21-6-4-8-23(49)12-21)32(42)35(56)48(38(59)44-27(37(57)58)15-22-7-5-9-24(50)13-22)18-25-16-30(52)36(61-25)47-11-10-31(53)45-39(47)60/h4-13,18-20,26-28,30,32,36,49-50,52H,14-17,40-42H2,1-3H3,(H,43,54)(H,44,59)(H,57,58)(H,45,53,60)/b25-18+/t19-,20-,26-,27?,28?,30?,32?,36?/m0/s1

InChIKey

YSDRMMXKDVSBJZ-VTBPMDGBSA-N

Smiles

C[C@@H](C(=O)CC(C(C(=O)N(/C=C/1\CC(C(O1)n2ccc(=O)[nH]c2=O)O)C(=O)NC(Cc3cccc(c3)O)C(=O)O)N)N(C)C(=O)[C@H](Cc4cccc(c4)O)NC(=O)[C@H](C)N)N