methyl 3-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-13-4-5-18(21(27)29-3)9-19(13)25-20(26)14(2)24-22(28)23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,14-17H,6-8,10-12H2,1-3H3,(H,24,28)(H,25,26)/t14-,15?,16?,17?,23?/m0/s1