ethyl 3-[[4-(1-carbamimidoylpiperidin-3-yl)-2-[(4-cyclopentylphenyl)sulfonylamino]butanoyl]-cyclopropyl-amino]propanoate

Systemtic Name: ethyl 3-[[4-(1-carbamimidoylpiperidin-3-yl)-2-[(4-cyclopentylphenyl)sulfonylamino]butanoyl]-cyclopropyl-amino]propanoate Openeye Name: ethyl 3-[[4-(1-carbamimidoyl-3-piperidyl)-2-[(4-cyclopentylphenyl)sulfonylamino]butanoyl]-cyclopropyl-amino]propanoate CAS Name: 3-[[4-(1-carbamimidoyl-3-piperidinyl)-2-[(4-cyclopentylphenyl)sulfonylamino]-1-oxobutyl]-cyclopropylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1-carbamimidoylpiperidin-3-yl)-2-[(4-cyclopentylphenyl)sulfonylamino]butanoyl]-cyclopropylamino]propanoate Traditional Name: 3-[[4-(1-amidino-3-piperidyl)-2-[(4-cyclopentylphenyl)sulfonylamino]butanoyl]-cyclopropyl-amino]propionic acid ethyl ester Formula: C29H45N5O5S MolecularWeight: 575.7631

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C(=O)C(CCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC=C(C=C3)C4CCCC4

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C(=O)C(CCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC=C(C=C3)C4CCCC4

InChI

InChI=1S/C29H45N5O5S/c1-2-39-27(35)17-19-34(24-12-13-24)28(36)26(16-9-21-6-5-18-33(20-21)29(30)31)32-40(37,38)25-14-10-23(11-15-25)22-7-3-4-8-22/h10-11,14-15,21-22,24,26,32H,2-9,12-13,16-20H2,1H3,(H3,30,31)