methyl 2-[[2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: methyl 2-[[2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]amino]acetate CAS Name: 2-[[2-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetate Traditional Name: 2-[[2-[2-[(4-amidinobenzyl)carbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid methyl ester Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CNC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H35N5O4/c1-33-20(30)15-27-21(17-6-3-2-4-7-17)24(32)29-13-5-8-19(29)23(31)28-14-16-9-11-18(12-10-16)22(25)26/h9-12,17,19,21,27H,2-8,13-15H2,1H3,(H3,25,26)(H,28,31)