[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C18H25N3O6 MolecularWeight: 379.4076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C18H25N3O6/c1-4-26-13-7-5-12(6-8-13)17(24)21-16(11(2)3)18(25)27-10-15(23)20-9-14(19)22/h5-8,11,16H,4,9-10H2,1-3H3,(H2,19,22)(H,20,23)(H,21,24)/t16-/m0/s1