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

Systemtic Name: (2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-3-oxidanyl-propanamide Openeye Name: (2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: (2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxypropanamide IUPAC Name: (2R)-2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-hydroxypropanamide Traditional Name: (2R)-N-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-2-[[4-(aminomethyl)benzyl]sulfonylamino]-3-hydroxy-propionamide Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)CS(=O)(=O)NC(CO)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CN)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H28N6O5S/c22-9-14-1-3-16(4-2-14)13-33(31,32)27-18(12-28)21(30)26-11-19(29)25-10-15-5-7-17(8-6-15)20(23)24/h1-8,18,27-28H,9-13,22H2,(H3,23,24)(H,25,29)(H,26,30)/t18-/m1/s1