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Substance Name: Zervamicin iia
RN: 79395-86-1
InChIKey: QZBYTJRABQGJJN-FCMISWNUSA-N

Molecular Formula

  • C89-H137-N19-O22

Molecular Weight

  • 1826.1802
 
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Names and Synonyms

Name of Substance

  • Zervamicin iia

Synonym

  • Zervamicin-II-A

Systematic Names

  • Zervamicin 11A
  • Zervamicin IC, 3-L-glutamine-4-(2-methylalanine)-

Registry Numbers

CAS Registry Number

  • 79395-86-1

System Generated Number

  • 0079395861

Structure Descriptors

InChI

1S/C89H138N19O22/c1-19-47(5)67(98-71(117)61(94-50(8)111)39-52-42-93-57-30-25-24-29-56(52)57)77(123)96-59(33-35-66(91)115)72(118)101-86(11,12)81(127)100-68(48(6)20-2)78(124)99-69(49(7)110)79(125)105-85(9,10)80(126)97-60(37-46(3)4)74(120)103-88(15,16)82(128)106-43-54(112)40-62(106)75(121)95-58(32-34-65(90)114)73(119)102-87(13,14)83(129)107-44-55(113)41-63(107)76(122)104-89(17,18)84(130)108(36-26-31-64(108)70(92)116)53(45-109)38-51-27-22-21-23-28-51/h21-25,27-30,42,46-49,53-55,58-64,67-69,93,109-110,112-113H,19-20,26,31-41,43-45H2,1-18H3,(H2,90,114)(H2,91,115)(H2,92,116)(H,94,111)(H,95,121)(H,96,123)(H,97,126)(H,98,117)(H,99,124)(H,100,127)(H,101,118)(H,102,119)(H,103,120)(H,104,122)(H,105,125)/t47-,48-,49+,53?,54+,55+,58-,59-,60-,61-,62-,63-,64-,67-,68-,69-/m0/s1

InChIKey

QZBYTJRABQGJJN-FCMISWNUSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N4C[C@H](O)C[C@H]4C(=O)NC(C)(C)C(=O)[N@]5(CCC[C@H]5C(=O)N)C(CO)Cc6ccccc6