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Substance Name: Iodoacetyltyrocidine B
RN: 120618-88-4
InChIKey: IODIKBTYMARIAD-NRAUFAEASA-N

Molecular Formula

  • C70-H89-I-N14-O14

Molecular Weight

  • 1477.46
 
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Names and Synonyms

Results Name

  • Iodoacetyltyrocidine B

Synonyms

  • Iodoacetyltyrocidine B
  • Tyrocidine A, 5-(N5-(iodoacetyl)-L-ornithine)-9-L-tryptophan-

Systematic Name

  • Cyclo(L-asparaginyl-L-glutaminyl-L-tyrosyl-L-valyl-N5-(iodoacetyl)-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-tryptophyl-D-phenylalanyl)

Registry Numbers

CAS Registry Number

  • 120618-88-4

System Generated Number

  • 0120618884

Structure Descriptors

InChI

1S/C70H89IN14O14/c1-40(2)31-53(79-62(91)49(72)20-13-29-76-60(90)37-71)65(94)81-55(34-43-17-9-6-10-18-43)68(97)84-30-14-22-57(84)67(96)82-56(35-45-38-77-51-21-12-11-19-48(45)51)69(98)85(46(39-86)32-42-15-7-5-8-16-42)70(99)61(41(3)4)83-66(95)54(33-44-23-25-47(87)26-24-44)80-64(93)52(27-28-58(74)88)78-63(92)50(73)36-59(75)89/h5-12,14-19,21,23-26,30,38-41,46,49-50,52-57,61,77,87H,13,20,22,27-29,31-37,72-73H2,1-4H3,(H2,74,88)(H2,75,89)(H,76,90)(H,78,92)(H,79,91)(H,80,93)(H,81,94)(H,82,96)(H,83,95)/t46-,49+,50+,52+,53+,54+,55-,56+,57+,61+/m1/s1

InChIKey

IODIKBTYMARIAD-NRAUFAEASA-N

Smiles

C([C@H](N(C([C@@H](NC([C@H]1N(C=CC1)C([C@H](NC([C@@H](NC([C@@H](N)CCCNC(=O)CI)=O)CC(C)C)=O)Cc1ccccc1)=O)=O)Cc1c[nH]c2ccccc12)=O)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)N)=O)CCC(=O)N)=O)Cc1ccc(O)cc1)=O)C(C)C)=O)Cc1ccccc1)=O