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Substance Name: Perhydroantamanide
RN: 33906-64-8
InChIKey: YDTHTYVRSKJGOT-KICGRLMCSA-N

Molecular Formula

  • C64-H102-N10-O10

Molecular Weight

  • 1171.5698
 
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Names and Synonyms

Name of Substance

  • Perhydroantamanide

Synonym

  • Lithium perhydroantamanide complex

Systematic Name

  • Antamanide, 2-(3-cyclohexyl-L-alanine)-3-(3-cyclohexyl-L-alanine)-6-(3-cyclohexyl-L-alanine)-7-(3-cyclohexyl-L-alanine)-

Registry Numbers

CAS Registry Number

  • 33906-64-8

System Generated Number

  • 0033906648

Structure Descriptors

InChI

1S/C64H102N10O10/c1-39(2)53(70-58(80)48(68)35-43-23-12-6-13-24-43)62(84)73-32-18-29-52(73)61(83)74-37-45(54(76)40(3)65)64(56(78)47(67)34-42-21-10-5-11-22-42,63(74,38-75)55(77)46(66)33-41-19-8-4-9-20-41)57(79)50-27-16-30-71(50)60(82)51-28-17-31-72(51)59(81)49(69)36-44-25-14-7-15-26-44/h18,32,38-53H,4-17,19-31,33-37,65-69H2,1-3H3,(H,70,80)/t40-,45?,46-,47-,48-,49-,50-,51-,52-,53-,63-,64?/m0/s1

InChIKey

YDTHTYVRSKJGOT-KICGRLMCSA-N

Smiles

C[C@@H](C(=O)C1CN([C@@](C1(C(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CC4CCCCC4)N)C(=O)[C@H](CC5CCCCC5)N)(C=O)C(=O)[C@H](CC6CCCCC6)N)C(=O)[C@@H]7CC=CN7C(=O)[C@H](C(C)C)NC(=O)[C@H](CC8CCCCC8)N)N