(2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-2-(phenethylsulfonylamino)propanamide

Systemtic Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-2-(phenethylsulfonylamino)propanamide Openeye Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-2-(phenethylsulfonylamino)propanamide CAS Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxy-2-(phenethylsulfonylamino)propanamide IUPAC Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxy-2-(phenethylsulfonylamino)propanamide Traditional Name: (2R)-N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-3-hydroxy-2-(phenethylsulfonylamino)propionamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)NC(CO)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1