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Substance Name: (1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane
RN: 180967-88-8
InChIKey: FIQBSLXLTLJIQG-YQYWCZHNSA-N

Molecular Formula

  • C40-H53-N5-O8

Molecular Weight

  • 731.8857
 
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Names and Synonyms

  • (1'S,2'S,2''S,9S,12R)-12-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-diaza-8,11-dioxo(14)paracyclophane

Registry Numbers

CAS Registry Number

  • 180967-88-8

System Generated Number

  • 0180967888

Structure Descriptors

InChI

1S/C40H53N5O8/c1-26(2)33-37(47)41-19-20-51-21-22-52-31-17-15-29(16-18-31)24-42-35(39(49)44-33)36(46)32(23-28-11-7-5-8-12-28)43-38(48)34(27(3)4)45-40(50)53-25-30-13-9-6-10-14-30/h5-18,26-27,32-36,42,46H,19-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33-,34-,35+,36+/m0/s1

InChIKey

FIQBSLXLTLJIQG-YQYWCZHNSA-N

Smiles

CC(C)[C@H]1C(=O)NCCOCCOc2ccc(cc2)CN[C@@H](C(=O)N1)[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O