2-[(4-carbamimidoylphenyl)methyl]-3-[(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)methyl]-3-[(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 2-[(4-carbamimidoylphenyl)methyl]-3-[(1-cyclohexyl-2-hydroxy-2-oxo-ethyl)amino]-3-oxo-propanoic acid CAS Name: 2-[(4-carbamimidoylphenyl)methyl]-3-[(1-cyclohexyl-2-hydroxy-2-oxoethyl)amino]-3-oxopropanoic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)methyl]-3-[(1-cyclohexyl-2-hydroxy-2-oxoethyl)amino]-3-oxopropanoic acid Traditional Name: 2-(4-amidinobenzyl)-3-[(1-cyclohexyl-2-hydroxy-2-keto-ethyl)amino]-3-keto-propionic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C19H25N3O5/c20-16(21)13-8-6-11(7-9-13)10-14(18(24)25)17(23)22-15(19(26)27)12-4-2-1-3-5-12/h6-9,12,14-15H,1-5,10H2,(H3,20,21)(H,22,23)(H,24,25)(H,26,27)