2-(1-carbamimidoylpiperidin-4-yl)ethyl (2R)-2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethanoate

Systemtic Name: 2-(1-carbamimidoylpiperidin-4-yl)ethyl (2R)-2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethanoate Openeye Name: 2-(1-carbamimidoyl-4-piperidyl)ethyl (2R)-2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-acetate CAS Name: (2R)-2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylacetic acid 2-(1-carbamimidoyl-4-piperidinyl)ethyl ester IUPAC Name: 2-(1-carbamimidoylpiperidin-4-yl)ethyl (2R)-2-[(3-carbamimidoylbenzoyl)amino]-2-phenylacetate Traditional Name: (2R)-2-[(3-amidinobenzoyl)amino]-2-phenyl-acetic acid 2-(1-amidino-4-piperidyl)ethyl ester Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCOC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1CCOC(=O)[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C24H30N6O3/c25-21(26)18-7-4-8-19(15-18)22(31)29-20(17-5-2-1-3-6-17)23(32)33-14-11-16-9-12-30(13-10-16)24(27)28/h1-8,15-16,20H,9-14H2,(H3,25,26)(H3,27,28)(H,29,31)/t20-/m1/s1