methyl 3-azanyl-2-[2-[2-azanylethanoyl(methyl)amino]-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride

Systemtic Name: methyl 3-azanyl-2-[2-[2-azanylethanoyl(methyl)amino]-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride Openeye Name: methyl 3-amino-2-[2-[(2-aminoacetyl)-methyl-amino]-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride CAS Name: 3-amino-2-[2-[(2-amino-1-oxoethyl)-methylamino]-1-oxo-3-phenylpropyl]-1-adamantanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-amino-2-[2-[(2-aminoacetyl)-methylamino]-3-phenylpropanoyl]adamantane-1-carboxylate hydrochloride Traditional Name: 3-amino-2-[2-[glycyl(methyl)amino]-3-phenyl-propanoyl]adamantane-1-carboxylic acid methyl ester hydrochloride Formula: C24H34ClN3O4 MolecularWeight: 463.99746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)C(=O)OC)C(=O)CN.Cl

Isomeric SMILES

CN(C(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)C(=O)OC)C(=O)CN.Cl

InChI

InChI=1S/C24H33N3O4.ClH/c1-27(19(28)14-25)18(9-15-6-4-3-5-7-15)20(29)21-23(22(30)31-2)10-16-8-17(11-23)13-24(21,26)12-16;/h3-7,16-18,21H,8-14,25-26H2,1-2H3;1H