(2S,3R)-2-(aminocarbonylamino)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3-methyl-pentanamide

Systemtic Name: (2S,3R)-2-(aminocarbonylamino)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3-methyl-pentanamide Openeye Name: (2S,3R)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3-methyl-2-ureido-pentanamide CAS Name: (2S,3R)-N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylpentanamide IUPAC Name: (2S,3R)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide Traditional Name: (2S,3R)-N-[4-(butylcarbamoylsulfamoyl)phenyl]-3-methyl-2-ureido-valeramide Formula: C18H29N5O5S MolecularWeight: 427.51836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C(C)CC)NC(=O)N

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]([C@H](C)CC)NC(=O)N

InChI

InChI=1S/C18H29N5O5S/c1-4-6-11-20-18(26)23-29(27,28)14-9-7-13(8-10-14)21-16(24)15(12(3)5-2)22-17(19)25/h7-10,12,15H,4-6,11H2,1-3H3,(H,21,24)(H3,19,22,25)(H2,20,23,26)/t12-,15+/m1/s1