3-azanyl-2-[2-azanyl-3-(butylsulfamoyl)-5-ethyl-phenyl]-3-azanylidene-2-phenylazanyl-propanoic acid

Systemtic Name: 3-azanyl-2-[2-azanyl-3-(butylsulfamoyl)-5-ethyl-phenyl]-3-azanylidene-2-phenylazanyl-propanoic acid Openeye Name: 3-amino-2-[2-amino-3-(butylsulfamoyl)-5-ethyl-phenyl]-2-anilino-3-imino-propanoic acid CAS Name: 3-amino-2-[2-amino-3-(butylsulfamoyl)-5-ethylphenyl]-2-anilino-3-iminopropanoic acid IUPAC Name: 3-amino-2-[2-amino-3-(butylsulfamoyl)-5-ethylphenyl]-2-anilino-3-iminopropanoic acid Traditional Name: 3-amino-2-[2-amino-3-(butylsulfamoyl)-5-ethyl-phenyl]-2-anilino-3-imino-propionic acid Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=CC(=C1N)C(C(=N)N)(C(=O)O)NC2=CC=CC=C2)CC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=CC(=C1N)C(C(=N)N)(C(=O)O)NC2=CC=CC=C2)CC

InChI

InChI=1S/C21H29N5O4S/c1-3-5-11-25-31(29,30)17-13-14(4-2)12-16(18(17)22)21(19(23)24,20(27)28)26-15-9-7-6-8-10-15/h6-10,12-13,25-26H,3-5,11,22H2,1-2H3,(H3,23,24)(H,27,28)