1-[3-(3-carbamimidoylphenyl)-2-(2-phenylpropylsulfamoylamino)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(3-carbamimidoylphenyl)-2-(2-phenylpropylsulfamoylamino)propanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(3-carbamimidoylphenyl)-2-(2-phenylpropylsulfamoylamino)propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(3-carbamimidoylphenyl)-1-oxo-2-(2-phenylpropylsulfamoylamino)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-carbamimidoylphenyl)-2-(2-phenylpropylsulfamoylamino)propanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(3-amidinophenyl)-2-(2-phenylpropylsulfamoylamino)propanoyl]nipecotic acid Formula: C25H33N5O5S MolecularWeight: 515.62502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)NC(CC1=CC=CC(=C1)C(=N)N)C(=O)N2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(CNS(=O)(=O)NC(CC1=CC=CC(=C1)C(=N)N)C(=O)N2CCCC(C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N5O5S/c1-17(19-8-3-2-4-9-19)15-28-36(34,35)29-22(14-18-7-5-10-20(13-18)23(26)27)24(31)30-12-6-11-21(16-30)25(32)33/h2-5,7-10,13,17,21-22,28-29H,6,11-12,14-16H2,1H3,(H3,26,27)(H,32,33)