prop-2-enyl (2R)-2-[(4-carbamimidoylphenyl)carbonylamino]-3-cyclohexyl-propanoate

Systemtic Name: prop-2-enyl (2R)-2-[(4-carbamimidoylphenyl)carbonylamino]-3-cyclohexyl-propanoate Openeye Name: allyl (2R)-2-[(4-carbamimidoylbenzoyl)amino]-3-cyclohexyl-propanoate CAS Name: (2R)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-cyclohexylpropanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-2-[(4-carbamimidoylbenzoyl)amino]-3-cyclohexylpropanoate Traditional Name: (2R)-2-[(4-amidinobenzoyl)amino]-3-cyclohexyl-propionic acid allyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C=CCOC(=O)[C@@H](CC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H27N3O3/c1-2-12-26-20(25)17(13-14-6-4-3-5-7-14)23-19(24)16-10-8-15(9-11-16)18(21)22/h2,8-11,14,17H,1,3-7,12-13H2,(H3,21,22)(H,23,24)/t17-/m1/s1