[2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]amino]ethyl] ester Formula: C16H22ClN3O5 MolecularWeight: 371.81598

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)COC(=O)C1=CC(=C(C=C1OC)N)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1OC)N)Cl

InChI

InChI=1S/C16H22ClN3O5/c1-4-5-19-15(22)9(2)20-14(21)8-25-16(23)10-6-11(17)12(18)7-13(10)24-3/h6-7,9H,4-5,8,18H2,1-3H3,(H,19,22)(H,20,21)/t9-/m0/s1