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Substance Name: Carbamic acid, (3-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-((3-hydroxyphenyl)methyl)-1-piperazinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, (2R-(2alpha,3alpha(1S*,2R*,3(S*))))-
RN: 159565-69-2
InChIKey: DMISINIQIKNYRB-OXMBMXHISA-N

Molecular Formula

  • C34-H50-N4-O7-S

Molecular Weight

  • 658.856
 
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Names and Synonyms

  • Carbamic acid, (3-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-((3-hydroxyphenyl)methyl)-1-piperazinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, (2R-(2alpha,3alpha(1S*,2R*,3(S*))))-

Registry Numbers

CAS Registry Number

  • 159565-69-2

System Generated Number

  • 0159565692

Structure Descriptors

InChI

1S/C34H50N4O7S/c1-23(2)31-30(14-17-46(31,43)44)45-33(42)35-27(19-24-10-7-6-8-11-24)29(40)22-38-16-15-37(20-25-12-9-13-26(39)18-25)21-28(38)32(41)36-34(3,4)5/h6-13,18,23,27-31,39-40H,14-17,19-22H2,1-5H3,(H,35,42)(H,36,41)/t27-,28-,29+,30+,31+/m0/s1

InChIKey

DMISINIQIKNYRB-OXMBMXHISA-N

Smiles

CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc2ccccc2)[C@@H](CN3CCN(C[C@H]3C(=O)NC(C)(C)C)Cc4cccc(c4)O)O