2-[[2-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-[2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid Traditional Name: 2-[[2-[2-[(5-amidino-2-thienyl)methylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O

InChI

InChI=1S/C21H31N5O4S/c22-19(23)16-9-8-14(31-16)11-25-20(29)15-7-4-10-26(15)21(30)18(24-12-17(27)28)13-5-2-1-3-6-13/h8-9,13,15,18,24H,1-7,10-12H2,(H3,22,23)(H,25,29)(H,27,28)