D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)
CAS Registry Number®
464930-42-5
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CAS Name
D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)Molecular Formula
C42H52N4O7S.ClHCite this Page
D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=464930-42-5 (retrieved ) (CAS RN: 464930-42-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H52N4O7S.ClH/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36;/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47);1H/t28-,29+,37-,38-;/m1./s1
InChIKey
InChIKey=GLHHFOSVBQQNAW-GDYXXZBVSA-N
SMILES
[C@@H](NS(=O)(=O)C1=CC2=C(C=C1)C=C(OC)C=C2)(CC(N[C@H](CC3=CC=C(CN4[C@@H](C)CCC[C@H]4C)C=C3)C(N(C(C)C)C)=O)=O)C=5C=C6C(=CC5)OCO6.Cl
Canonical SMILES
Cl.O=C(NC(C(=O)N(C)C(C)C)CC1=CC=C(C=C1)CN2C(C)CCCC2C)CC(NS(=O)(=O)C3=CC=C4C=C(OC)C=CC4=C3)C5=CC=C6OCOC6=C5
Other Names for this Substance
- D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)
- D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride
- SSR 240612
