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

Systemtic Name: methyl 3-azanyl-2-[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate Openeye Name: methyl 3-amino-2-[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]adamantane-1-carboxylate CAS Name: 3-amino-2-[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]adamantane-1-carboxylate Traditional Name: 3-amino-2-[2-(glycylamino)-3-phenyl-propanoyl]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)(C2C(=O)C(CC4=CC=CC=C4)NC(=O)CN)N

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)NC(=O)CN)N

InChI

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