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Substance Name: NAB-739
RN: 1006686-82-3
InChIKey: MDZVFKKBSGQKQR-XNUGQAHBSA-N

Molecular Weight

  • 1076.2995
 
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Names and Synonyms

Name of Substance

  • NAB-739

Synonyms

  • NAB 739
  • NAB739

Registry Numbers

CAS Registry Number

  • 1006686-82-3

Other Registry Number

  • 1180664-52-1

System Generated Number

  • 1006686823

Structure Descriptors

InChI

1S/C50H85N13O13/c1-6-7-8-9-13-16-39(67)62-41(30(5)66)50(76)61-38(27-64)48(74)58-35-20-24-54-49(75)40(29(4)65)63-45(71)34(19-23-53)56-42(68)32(17-21-51)57-46(72)36(25-28(2)3)59-47(73)37(26-31-14-11-10-12-15-31)60-43(69)33(18-22-52)55-44(35)70/h10-12,14-15,28-30,32-38,40-41,64-66H,6-9,13,16-27,51-53H2,1-5H3,(H,54,75)(H,55,70)(H,56,68)(H,57,72)(H,58,74)(H,59,73)(H,60,69)(H,61,76)(H,62,67)(H,63,71)/t29-,30-,32+,33+,34+,35?,36?,37-,38+,40+,41+/m1/s1

InChIKey

MDZVFKKBSGQKQR-XNUGQAHBSA-N

Smiles

CCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NC1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)[C@@H](C)O