(2R,4S)-2-azaniumyl-4-(thiophen-2-ylmethyl)pentanedioate

Systemtic Name: (2R,4S)-2-azaniumyl-4-(thiophen-2-ylmethyl)pentanedioate Openeye Name: (2R,4S)-2-azaniumyl-4-(2-thienylmethyl)pentanedioate CAS Name: (2R,4S)-2-ammonio-4-(thiophen-2-ylmethyl)pentanedioate IUPAC Name: (2R,4S)-2-azaniumyl-4-(thiophen-2-ylmethyl)pentanedioate Traditional Name: (2R,4S)-2-ammonio-4-(2-thenyl)glutarate Formula: C10H12NO4S- MolecularWeight: 242.27158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(CC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C[C@H](C[C@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C10H13NO4S/c11-8(10(14)15)5-6(9(12)13)4-7-2-1-3-16-7/h1-3,6,8H,4-5,11H2,(H,12,13)(H,14,15)/p-1/t6-,8-/m1/s1