(3S)-2-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)O)N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1