methyl (2S)-3-(4-hydroxyphenyl)-2-[[(5S,7R)-3-phenyl-1-adamantyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[(5S,7R)-3-phenyl-1-adamantyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[oxo-[(5S,7R)-3-phenyl-1-adamantyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]propionic acid methyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO4/c1-32-24(30)23(12-18-7-9-22(29)10-8-18)28-25(31)27-15-19-11-20(16-27)14-26(13-19,17-27)21-5-3-2-4-6-21/h2-10,19-20,23,29H,11-17H2,1H3,(H,28,31)/t19-,20+,23-,26?,27?/m0/s1