(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-[(4-methylphenyl)methylsulfonylamino]-3-oxidanyl-propanamide

Systemtic Name: (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-2-[(4-methylphenyl)methylsulfonylamino]-3-oxidanyl-propanamide Openeye Name: (2R)-N-[(1S)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-2-(p-tolylmethylsulfonylamino)propanamide CAS Name: (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-[(4-methylphenyl)methylsulfonylamino]propanamide IUPAC Name: (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxy-2-[(4-methylphenyl)methylsulfonylamino]propanamide Traditional Name: (2R)-N-[(1S)-2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-3-hydroxy-2-[(4-methylbenzyl)sulfonylamino]propionamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)NC(CO)C(=O)NC(C)C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H29N5O5S/c1-14-3-5-17(6-4-14)13-33(31,32)27-19(12-28)22(30)26-15(2)21(29)25-11-16-7-9-18(10-8-16)20(23)24/h3-10,15,19,27-28H,11-13H2,1-2H3,(H3,23,24)(H,25,29)(H,26,30)/t15-,19+/m0/s1