5-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 5-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[(2S,4S)-1-allyloxycarbonyl-4-sulfanyl-pyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[[(2S,4S)-4-mercapto-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[(2S,4S)-1-prop-2-enoxycarbonyl-4-sulfanylpyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[(2S,4S)-1-allyloxycarbonyl-4-mercapto-pyrrolidin-2-yl]methylcarbamoyl]picolinic acid Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=O)C2=CN=C(C=C2)C(=O)O)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNC(=O)C2=CN=C(C=C2)C(=O)O)S

InChI

InChI=1S/C16H19N3O5S/c1-2-5-24-16(23)19-9-12(25)6-11(19)8-18-14(20)10-3-4-13(15(21)22)17-7-10/h2-4,7,11-12,25H,1,5-6,8-9H2,(H,18,20)(H,21,22)/t11-,12-/m0/s1