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Substance Name: Carbamic acid, (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, 3,6-dihydro-2H-pyran-3-yl ester, (3S-(2(1R*(S*),2S*),3alpha,4abeta,8abeta))-
RN: 145680-06-4
InChIKey: LYPBPTICLJCIAA-YECVLQETSA-N

Molecular Formula

  • C30-H45-N3-O5

Molecular Weight

  • 527.7015
 
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Names and Synonyms

Synonym

  • 3-(3-(R)-(((2,3-Dihydro-3-pyranyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamide

Systematic Name

  • Carbamic acid, (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, 3,6-dihydro-2H-pyran-3-yl ester, (3S-(2(1R*(S*),2S*),3alpha,4abeta,8abeta))-

Registry Numbers

CAS Registry Number

  • 145680-06-4

System Generated Number

  • 0145680064

Structure Descriptors

InChI

1S/C30H45N3O5/c1-30(2,3)32-28(35)26-17-22-12-7-8-13-23(22)18-33(26)19-27(34)25(16-21-10-5-4-6-11-21)31-29(36)38-24-14-9-15-37-20-24/h4-6,9-11,14,22-27,34H,7-8,12-13,15-20H2,1-3H3,(H,31,36)(H,32,35)/t22-,23+,24+,25-,26-,27+/m0/s1

InChIKey

LYPBPTICLJCIAA-YECVLQETSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4COCC=C4)O