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Substance Name: (1'S,2'S,2''S,15R)-15-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-12-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxo-11,14-dioxo(17)paracyclophane
RN: 180968-29-0
InChIKey: BOMYVDPSYNOFDI-LOFFRUMASA-N

Molecular Formula

  • C42-H57-N5-O9

Molecular Weight

  • 775.9383
 
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Names and Synonyms

  • (1'S,2'S,2''S,15R)-15-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-12-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxo-11,14-dioxo(17)paracyclophane

Registry Numbers

CAS Registry Number

  • 180968-29-0

System Generated Number

  • 0180968290

Structure Descriptors

InChI

1S/C42H57N5O9/c1-28(2)35-39(49)43-19-20-53-21-22-54-23-24-55-33-17-15-31(16-18-33)26-44-37(41(51)46-35)38(48)34(25-30-11-7-5-8-12-30)45-40(50)36(29(3)4)47-42(52)56-27-32-13-9-6-10-14-32/h5-18,28-29,34-38,44,48H,19-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1

InChIKey

BOMYVDPSYNOFDI-LOFFRUMASA-N

Smiles

CC(C)[C@H]1C(=O)NCCOCCOCCOc2ccc(cc2)CN[C@@H](C(=O)N1)[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O