methyl (2S)-2-(1-adamantylcarbamoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(1-adamantylcarbamoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-(1-adamantylcarbamoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(1-adamantylamino)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantylcarbamoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-(1-adamantylcarbamoylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O4/c1-27-19(25)18(9-13-2-4-17(24)5-3-13)22-20(26)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,14-16,18,24H,6-12H2,1H3,(H2,22,23,26)/t14?,15?,16?,18-,21?/m0/s1