CAS 82637-57-8

Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate

Description:

Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate, with CAS number 82637-57-8, is a complex organic compound characterized by its isoquinoline structure, which is a bicyclic compound containing a benzene ring fused to a pyridine ring. This substance features multiple functional groups, including an ethoxycarbonyl group and an amino group, contributing to its potential biological activity. The presence of methoxy groups enhances its lipophilicity, which may influence its pharmacokinetic properties. The stereochemistry indicated by the (S) configurations suggests specific spatial arrangements that could be crucial for its interaction with biological targets. Such compounds are often investigated for their potential therapeutic applications, particularly in the fields of medicinal chemistry and drug development. Overall, the intricate structure of this compound suggests a diverse range of chemical reactivity and potential biological effects, warranting further research to elucidate its properties and applications.

Formula: C₃₄H₄₀N₂O₇

InChI: InChI=1S/C34H40N2O7/c1-5-42-33(38)28(17-16-24-12-8-6-9-13-24)35-23(2)32(37)36-21-27-20-31(41-4)30(40-3)19-26(27)18-29(36)34(39)43-22-25-14-10-7-11-15-25/h6-15,19-20,23,28-29,35H,5,16-18,21-22H2,1-4H3/t23-,28-,29-/m0/s1

InChI key: InChIKey=JZXQEVNCLGXAGD-OIFPXGRLSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)[C@@H]2CC=3C(CN2C([C@@H](N[C@@H](CCC4=CC=CC=C4)C(OCC)=O)C)=O)=CC(OC)=C(OC)C3

Synonyms:

• 2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid phenylmethyl ester
• 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, phenylmethyl ester, (3S)-
• 3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, phenylmethyl ester, [3S-[2[R*(R*)],3R*]]-
• Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate