2-[3-azanyl-5-(ethanoylsulfanylmethyl)-4-propanoyl-indazol-1-yl]propanoic acid

Systemtic Name: 2-[3-azanyl-5-(ethanoylsulfanylmethyl)-4-propanoyl-indazol-1-yl]propanoic acid Openeye Name: 2-[5-(acetylsulfanylmethyl)-3-amino-4-propanoyl-indazol-1-yl]propanoic acid CAS Name: 2-[5-[(acetylthio)methyl]-3-amino-4-(1-oxopropyl)-1-indazolyl]propanoic acid IUPAC Name: 2-[5-(acetylsulfanylmethyl)-3-amino-4-propanoylindazol-1-yl]propanoic acid Traditional Name: 2-[5-[(acetylthio)methyl]-3-amino-4-propionyl-indazol-1-yl]propionic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC2=C1C(=NN2C(C)C(=O)O)N)CSC(=O)C

Isomeric SMILES

CCC(=O)C1=C(C=CC2=C1C(=NN2C(C)C(=O)O)N)CSC(=O)C

InChI

InChI=1S/C16H19N3O4S/c1-4-12(21)13-10(7-24-9(3)20)5-6-11-14(13)15(17)18-19(11)8(2)16(22)23/h5-6,8H,4,7H2,1-3H3,(H2,17,18)(H,22,23)