methyl 3-[[(4-azanylcyclohexyl)carbonylamino]-(phenylcarbonyl)amino]propanoate hydrochloride

Systemtic Name: methyl 3-[[(4-azanylcyclohexyl)carbonylamino]-(phenylcarbonyl)amino]propanoate hydrochloride Openeye Name: methyl 3-[[(4-aminocyclohexanecarbonyl)amino]-benzoyl-amino]propanoate hydrochloride CAS Name: 3-[[[(4-aminocyclohexyl)-oxomethyl]amino]-benzoylamino]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[(4-aminocyclohexanecarbonyl)amino]-benzoylamino]propanoate hydrochloride Traditional Name: 3-[[(4-aminocyclohexanecarbonyl)amino]-benzoyl-amino]propionic acid methyl ester hydrochloride Formula: C18H26ClN3O4 MolecularWeight: 383.86974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C(=O)C1=CC=CC=C1)NC(=O)C2CCC(CC2)N.Cl

Isomeric SMILES

COC(=O)CCN(C(=O)C1=CC=CC=C1)NC(=O)C2CCC(CC2)N.Cl

InChI

InChI=1S/C18H25N3O4.ClH/c1-25-16(22)11-12-21(18(24)14-5-3-2-4-6-14)20-17(23)13-7-9-15(19)10-8-13;/h2-6,13,15H,7-12,19H2,1H3,(H,20,23);1H