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

Systemtic Name: methyl 4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O4/c1-13(19(25)24-18-5-3-17(4-6-18)20(26)28-2)23-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,7-12H2,1-2H3,(H,23,27)(H,24,25)/t13-,14?,15?,16?,22?/m0/s1