(2S)-2-azanyl-3-[(3-chloranyl-4-methyl-5-sulfo-phenyl)carbamoyloxy]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[(3-chloranyl-4-methyl-5-sulfo-phenyl)carbamoyloxy]propanoic acid Openeye Name: (2S)-2-amino-3-[(3-chloro-4-methyl-5-sulfo-phenyl)carbamoyloxy]propanoic acid CAS Name: (2S)-2-amino-3-[(3-chloro-4-methyl-5-sulfoanilino)-oxomethoxy]propanoic acid IUPAC Name: (2S)-2-amino-3-[(3-chloro-4-methyl-5-sulfophenyl)carbamoyloxy]propanoic acid Traditional Name: (2S)-2-amino-3-[(3-chloro-4-methyl-5-sulfo-phenyl)carbamoyloxy]propionic acid Formula: C11H13ClN2O7S MolecularWeight: 352.74812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Cl)NC(=O)OCC(C(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1Cl)NC(=O)OC[C@@H](C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C11H13ClN2O7S/c1-5-7(12)2-6(3-9(5)22(18,19)20)14-11(17)21-4-8(13)10(15)16/h2-3,8H,4,13H2,1H3,(H,14,17)(H,15,16)(H,18,19,20)/t8-/m0/s1