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Substance Name: Plipastatin B 1
RN: 103955-73-3
InChIKey: BBRYHXPVDSFBGT-UHFFFAOYSA-N

Molecular Formula

  • C74-H114-N12-O20

Molecular Weight

  • 1491.78
 
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Names and Synonyms

Name of Substance

  • Plipastatin B 1

Synonyms

  • L-Isoleucine, N-(N-(N2-(1-(N-(N-(N-(N-(N2-(N-(3-hydroxy-1-oxohexadecyl)-L-alpha-glutamyl)-D-ornithyl)-L-tyrosyl)-D-allothreonyl)-L-alpha-glutamyl)-D-valyl)-L-prolyl)-L-glutaminyl)-D-tyrosyl)-, gamma1-lactone,(R)-
  • Plipastatin A 1, 6-D-valine-

Registry Numbers

CAS Registry Number

  • 103955-73-3

System Generated Number

  • 0103955733

Structure Descriptors

InChI

1S/C74H114N12O20/c1-7-9-10-11-12-13-14-15-16-17-18-21-49(89)42-59(91)77-52(33-36-60(92)93)66(97)78-51(22-19-38-75)65(96)81-56-41-47-26-30-50(31-27-47)106-74(105)63(44(5)8-2)84-69(100)55(40-46-24-28-48(88)29-25-46)82-67(98)53(32-35-58(76)90)79-71(102)57-23-20-39-86(57)73(104)62(43(3)4)83-68(99)54(34-37-61(94)95)80-72(103)64(45(6)87)85-70(56)101/h24-31,43-45,49,51-57,62-64,87-89H,7-23,32-42,75H2,1-6H3,(H2,76,90)(H,77,91)(H,78,97)(H,79,102)(H,80,103)(H,81,96)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,92,93)(H,94,95)

InChIKey

BBRYHXPVDSFBGT-UHFFFAOYSA-N

Smiles

C(CC[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCCCC)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