2-[[2-[(4-tert-butylphenyl)sulfonylamino]-3-[(1-carbamimidoylpiperidin-3-yl)methylcarbamoyl]cyclopropyl]-propanoyl-amino]ethanoate

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-3-[(1-carbamimidoylpiperidin-3-yl)methylcarbamoyl]cyclopropyl]-propanoyl-amino]ethanoate Openeye Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-3-[(1-carbamimidoyl-3-piperidyl)methylcarbamoyl]cyclopropyl]-propanoyl-amino]acetate CAS Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-3-[[(1-carbamimidoyl-3-piperidinyl)methylamino]-oxomethyl]cyclopropyl]-(1-oxopropyl)amino]acetate IUPAC Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-3-[(1-carbamimidoylpiperidin-3-yl)methylcarbamoyl]cyclopropyl]-propanoylamino]acetate Traditional Name: 2-[[2-[(1-amidino-3-piperidyl)methylcarbamoyl]-3-[(4-tert-butylphenyl)sulfonylamino]cyclopropyl]-propionyl-amino]acetate Formula: C26H39N6O6S- MolecularWeight: 563.68946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC(=O)[O-])C1C(C1NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)NCC3CCCN(C3)C(=N)N

Isomeric SMILES

CCC(=O)N(CC(=O)[O-])C1C(C1NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)NCC3CCCN(C3)C(=N)N

InChI

InChI=1S/C26H40N6O6S/c1-5-19(33)32(15-20(34)35)23-21(24(36)29-13-16-7-6-12-31(14-16)25(27)28)22(23)30-39(37,38)18-10-8-17(9-11-18)26(2,3)4/h8-11,16,21-23,30H,5-7,12-15H2,1-4H3,(H3,27,28)(H,29,36)(H,34,35)/p-1