2-[[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]-1-piperidyl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[1-[2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-piperidinyl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid IUPAC Name: 2-[[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid Traditional Name: 2-[[2-[2-[(5-amidino-2-thienyl)methylcarbamoyl]piperidino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid Formula: C23H35N5O4S MolecularWeight: 477.6201

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O

InChI

InChI=1S/C23H35N5O4S/c24-21(25)19-10-9-16(33-19)13-27-22(31)18-8-4-5-11-28(18)23(32)17(26-14-20(29)30)12-15-6-2-1-3-7-15/h9-10,15,17-18,26H,1-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)