ethyl (2S)-2-[(5-azanyl-2-phenylmethoxy-phenyl)carbonylamino]-4-methyl-pentanoate hydrochloride

Systemtic Name: ethyl (2S)-2-[(5-azanyl-2-phenylmethoxy-phenyl)carbonylamino]-4-methyl-pentanoate hydrochloride Openeye Name: ethyl (2S)-2-[(5-amino-2-benzyloxy-benzoyl)amino]-4-methyl-pentanoate hydrochloride CAS Name: (2S)-2-[[(5-amino-2-phenylmethoxyphenyl)-oxomethyl]amino]-4-methylpentanoic acid ethyl ester hydrochloride IUPAC Name: ethyl (2S)-2-[(5-amino-2-phenylmethoxybenzoyl)amino]-4-methylpentanoate hydrochloride Traditional Name: (2S)-2-[(5-amino-2-benzoxy-benzoyl)amino]-4-methyl-valeric acid ethyl ester hydrochloride Formula: C22H29ClN2O4 MolecularWeight: 420.92966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=C(C=CC(=C1)N)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)C1=C(C=CC(=C1)N)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C22H28N2O4.ClH/c1-4-27-22(26)19(12-15(2)3)24-21(25)18-13-17(23)10-11-20(18)28-14-16-8-6-5-7-9-16;/h5-11,13,15,19H,4,12,14,23H2,1-3H3,(H,24,25);1H/t19-;/m0./s1