(2S)-N-[4-[[bis(azanyl)methylideneamino]sulfamoyl]phenyl]-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanamide

Systemtic Name: (2S)-N-[4-[[bis(azanyl)methylideneamino]sulfamoyl]phenyl]-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanamide Openeye Name: (2S)-N-[4-(guanidinosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-(p-tolylsulfonylcarbamoylamino)propanoylamino]propanamide CAS Name: (2S)-N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]-3-(1H-imidazol-5-yl)-2-[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-oxopropyl]amino]propanamide IUPAC Name: (2S)-N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanamide Traditional Name: (2S)-N-[4-(guanidinosulfamoyl)phenyl]-3-(1H-imidazol-5-yl)-2-[3-(tosylcarbamoylamino)propanoylamino]propionamide Formula: C24H30N10O7S2 MolecularWeight: 634.6878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NN=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)N[C@@H](CC2=CN=CN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NN=C(N)N

InChI

InChI=1S/C24H30N10O7S2/c1-15-2-6-18(7-3-15)42(38,39)33-24(37)28-11-10-21(35)31-20(12-17-13-27-14-29-17)22(36)30-16-4-8-19(9-5-16)43(40,41)34-32-23(25)26/h2-9,13-14,20,34H,10-12H2,1H3,(H,27,29)(H,30,36)(H,31,35)(H4,25,26,32)(H2,28,33,37)/t20-/m0/s1