(2S)-2-azanylbutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-(2-thienyl)propanoic acid CAS Name: (2S)-2-aminobutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: (2S)-2-aminosuccinic acid; (2S)-2-(carbomethoxyamino)-3-(2-thienyl)propionic acid Formula: C13H18N2O8S MolecularWeight: 362.35562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=CC=CS1)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

COC(=O)N[C@@H](CC1=CC=CS1)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11NO4S.C4H7NO4/c1-14-9(13)10-7(8(11)12)5-6-3-2-4-15-6;5-2(4(8)9)1-3(6)7/h2-4,7H,5H2,1H3,(H,10,13)(H,11,12);2H,1,5H2,(H,6,7)(H,8,9)/t7-;2-/m00/s1