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

Systemtic Name: methyl 3-azanyl-2-[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride Openeye Name: methyl 3-amino-2-[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride CAS Name: 3-amino-2-[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]-1-adamantanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-amino-2-[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]adamantane-1-carboxylate hydrochloride Traditional Name: 3-amino-2-[2-(glycylamino)-3-phenyl-propanoyl]adamantane-1-carboxylic acid methyl ester hydrochloride Formula: C23H32ClN3O4 MolecularWeight: 449.97088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4.ClH/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);1H