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Substance Name: (1'S,2'S,8S,11R)-11-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)metacyclophane
RN: 180968-38-1
InChIKey: CSURAROSZFOMBV-YQYWCZHNSA-N

Molecular Formula

  • C40-H53-N5-O7

Molecular Weight

  • 715.8867
 
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Names and Synonyms

  • (1'S,2'S,8S,11R)-11-(2''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-8-(1-methylethyl)-6,9,12-triaza-1-oxa-7,10-dioxo(13)metacyclophane

Registry Numbers

CAS Registry Number

  • 180968-38-1

System Generated Number

  • 0180968381

Structure Descriptors

InChI

1S/C40H53N5O7/c1-26(2)33-37(47)41-20-11-12-21-51-31-19-13-18-30(22-31)24-42-35(39(49)44-33)36(46)32(23-28-14-7-5-8-15-28)43-38(48)34(27(3)4)45-40(50)52-25-29-16-9-6-10-17-29/h5-10,13-19,22,26-27,32-36,42,46H,11-12,20-21,23-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33-,34-,35+,36+/m0/s1

InChIKey

CSURAROSZFOMBV-YQYWCZHNSA-N

Smiles

CC(C)[C@H]1C(=O)NCCCCOc2cccc(c2)CN[C@@H](C(=O)N1)[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O