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Substance Name: Heptanoic acid, 4-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-6-methyl-
RN: 174740-57-9
InChIKey: ZHILRHGTUQVDGQ-HPGDPWOZSA-N

Molecular Formula

  • C46-H78-N2-O5

Molecular Weight

  • 739.1312
 
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Names and Synonyms

Synonym

  • (4R)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-6-methylheptanoic acid

Systematic Name

  • Heptanoic acid, 4-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-6-methyl-

Registry Numbers

CAS Registry Number

  • 174740-57-9

System Generated Number

  • 0174740579

Structure Descriptors

InChI

1S/C46H78N2O5/c1-30(2)29-32(16-19-39(51)52)48-38(50)15-13-11-10-12-14-28-47-41(53)46-25-20-33(31(3)4)40(46)34-17-18-36-43(7)23-22-37(49)42(5,6)35(43)21-24-45(36,9)44(34,8)26-27-46/h30,32-37,40,49H,3,10-29H2,1-2,4-9H3,(H,47,53)(H,48,50)(H,51,52)/t32-,33+,34-,35+,36-,37+,40-,43+,44-,45-,46+/m1/s1

InChIKey

ZHILRHGTUQVDGQ-HPGDPWOZSA-N

Smiles

CC(C)C[C@@H](CCC(=O)O)NC(=O)CCCCCCCNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=C)C