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Substance Name: Plipastatin B 2
RN: 103955-74-4
InChIKey: MDGVEJMMQGHRTN-UHFFFAOYSA-N

Molecular Weight

  • 1505.81
 
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Names and Synonyms

Name of Substance

  • Plipastatin B 2

Synonym

  • SNA-60-367-12

Systematic Name

  • Plipastatin A 1, 1-(N-(3-hydroxy-14-methyl-1-oxohexadecyl)-L-glutamic acid)-6-D-valine-, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 103955-74-4

System Generated Number

  • 0103955744

Structure Descriptors

InChI

1S/C75H116N12O20/c1-8-44(5)20-16-14-12-10-11-13-15-17-21-50(90)42-60(92)78-53(33-36-61(93)94)67(98)79-52(22-18-38-76)66(97)82-57-41-48-26-30-51(31-27-48)107-75(106)64(45(6)9-2)85-70(101)56(40-47-24-28-49(89)29-25-47)83-68(99)54(32-35-59(77)91)80-72(103)58-23-19-39-87(58)74(105)63(43(3)4)84-69(100)55(34-37-62(95)96)81-73(104)65(46(7)88)86-71(57)102/h24-31,43-46,50,52-58,63-65,88-90H,8-23,32-42,76H2,1-7H3,(H2,77,91)(H,78,92)(H,79,98)(H,80,103)(H,81,104)(H,82,97)(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,93,94)(H,95,96)

InChIKey

MDGVEJMMQGHRTN-UHFFFAOYSA-N

Smiles

C(CC[C@@H](NC(=O)C[C@@H](CCCCCCCCCC[C@@H](CC)C)O)C(=O)N[C@@H](C(N[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)Oc2ccc(C1)cc2)[C@@H](C)CC)Cc1ccc(cc1)O)CCC(N)=O)CCC(O)=O)[C@@H](C)O)=O)CCCN)(=O)O