methyl 3-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]adamantane-1-carboxylate Openeye Name: methyl 3-[[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]adamantane-1-carboxylate CAS Name: 3-[[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]adamantane-1-carboxylate Traditional Name: 3-[[2-(glycylamino)-3-phenyl-propanoyl]amino]adamantane-1-carboxylic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C(CC4=CC=CC=C4)NC(=O)CN

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)NC(=O)C(CC4=CC=CC=C4)NC(=O)CN

InChI

InChI=1S/C23H31N3O4/c1-30-21(29)22-9-16-7-17(10-22)12-23(11-16,14-22)26-20(28)18(25-19(27)13-24)8-15-5-3-2-4-6-15/h2-6,16-18H,7-14,24H2,1H3,(H,25,27)(H,26,28)