(2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-(methylsulfonylamino)-4-phenyl-butanamide

Systemtic Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-2-(methylsulfonylamino)-4-phenyl-butanamide Openeye Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-2-(methanesulfonamido)-4-phenyl-butanamide CAS Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-(methanesulfonamido)-4-phenylbutanamide IUPAC Name: (2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-2-(methanesulfonamido)-4-phenylbutanamide Traditional Name: (2R)-N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-(methanesulfonamido)-4-phenyl-butyramide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCC1=CC=CC=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CS(=O)(=O)N[C@H](CCC1=CC=CC=C1)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N5O4S/c1-31(29,30)26-18(12-9-15-5-3-2-4-6-15)21(28)25-14-19(27)24-13-16-7-10-17(11-8-16)20(22)23/h2-8,10-11,18,26H,9,12-14H2,1H3,(H3,22,23)(H,24,27)(H,25,28)/t18-/m1/s1