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

Systemtic Name: 2-[[2-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-[2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid Traditional Name: 2-[[2-[2-[(5-amidino-2-thienyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(S3)C(=N)N)NCC(=O)O

InChI

InChI=1S/C20H29N5O4S/c21-18(22)15-7-6-13(30-15)10-24-19(28)14-8-9-25(14)20(29)17(23-11-16(26)27)12-4-2-1-3-5-12/h6-7,12,14,17,23H,1-5,8-11H2,(H3,21,22)(H,24,28)(H,26,27)