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Substance Name: Butanamide, N,N'-(2,3-dihydroxy-1,4-bis((4-(phenylmethoxy)phenyl)methyl)-1,4-butanediyl)bis(2-(acetylamino)-3-methyl-, (1S-(1R*(R*),2S*,3S*,4R*(R*)))-
RN: 152020-34-3
InChIKey: BHILNEINJAFWFO-FEHIJEOVSA-N

Molecular Formula

  • C46-H58-N4-O8

Molecular Weight

  • 794.9842
 
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Names and Synonyms

Synonym

  • (Ac-Val-BzlTyr-psi(CHOH)2

Systematic Name

  • Butanamide, N,N'-(2,3-dihydroxy-1,4-bis((4-(phenylmethoxy)phenyl)methyl)-1,4-butanediyl)bis(2-(acetylamino)-3-methyl-, (1S-(1R*(R*),2S*,3S*,4R*(R*)))-

Registry Numbers

CAS Registry Number

  • 152020-34-3

System Generated Number

  • 0152020343

Structure Descriptors

InChI

1S/C46H58N4O8/c1-29(2)41(47-31(5)51)45(55)49-39(25-33-17-21-37(22-18-33)57-27-35-13-9-7-10-14-35)43(53)44(54)40(50-46(56)42(30(3)4)48-32(6)52)26-34-19-23-38(24-20-34)58-28-36-15-11-8-12-16-36/h7-24,29-30,39-44,53-54H,25-28H2,1-6H3,(H,47,51)(H,48,52)(H,49,55)(H,50,56)/t39-,40-,41-,42-,43+,44+/m0/s1

InChIKey

BHILNEINJAFWFO-FEHIJEOVSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OCc2ccccc2)[C@H]([C@@H]([C@H](Cc3ccc(cc3)OCc4ccccc4)NC(=O)[C@H](C(C)C)NC(=O)C)O)O)NC(=O)C