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Substance Name: Plipastatin A 2
RN: 103955-72-2
InChIKey: YSHVOZLUGRPITA-UHFFFAOYSA-N

Molecular Formula

  • C73-H112-N12-O20

Molecular Weight

  • 1477.75
 
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Names and Synonyms

Name of Substance

  • Plipastatin A 2

Synonym

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

Registry Numbers

CAS Registry Number

  • 103955-72-2

System Generated Number

  • 0103955722

Structure Descriptors

InChI

1S/C73H112N12O20/c1-7-42(3)19-15-13-11-9-10-12-14-16-20-49(88)41-59(90)77-52(32-35-60(91)92)66(97)78-51(21-17-37-74)65(96)81-56-40-47-25-29-50(30-26-47)105-73(104)62(43(4)8-2)83-68(99)55(39-46-23-27-48(87)28-24-46)82-67(98)53(31-34-58(75)89)79-70(101)57-22-18-38-85(57)72(103)44(5)76-64(95)54(33-36-61(93)94)80-71(102)63(45(6)86)84-69(56)100/h23-30,42-45,49,51-57,62-63,86-88H,7-22,31-41,74H2,1-6H3,(H2,75,89)(H,76,95)(H,77,90)(H,78,97)(H,79,101)(H,80,102)(H,81,96)(H,82,98)(H,83,99)(H,84,100)(H,91,92)(H,93,94)

InChIKey

YSHVOZLUGRPITA-UHFFFAOYSA-N

Smiles

C(CC[C@@H](NC(=O)C[C@@H](CCCCCCCCCC[C@@H](C)CC)O)C(=O)N[C@@H](C(N[C@@H]1C(N[C@@H](C(=O)N[C@@H](CCC(O)=O)C(N[C@@H](C(=O)N2[C@@H](C(N[C@@H](CCC(N)=O)C(N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)Oc3ccc(C1)cc3)=O)=O)CCC2)C)=O)[C@@H](C)O)=O)=O)CCCN)(=O)O