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

Systemtic Name: 5-[[(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-1-prop-2-enoxycarbonyl-pyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid Openeye Name: 5-[[(2S,4S)-1-allyloxycarbonyl-4-tert-butoxycarbonylsulfanyl-pyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid CAS Name: 5-[[[(2S,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]-1-[oxo(prop-2-enoxy)methyl]-2-pyrrolidinyl]methylamino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 5-[[(2S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]-1-prop-2-enoxycarbonylpyrrolidin-2-yl]methylcarbamoyl]pyridine-2-carboxylic acid Traditional Name: 5-[[(2S,4S)-1-allyloxycarbonyl-4-(tert-butoxycarbonylthio)pyrrolidin-2-yl]methylcarbamoyl]picolinic acid Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CNC(=O)C2=CN=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC=C)CNC(=O)C2=CN=C(C=C2)C(=O)O

InChI

InChI=1S/C21H27N3O7S/c1-5-8-30-19(28)24-12-15(32-20(29)31-21(2,3)4)9-14(24)11-23-17(25)13-6-7-16(18(26)27)22-10-13/h5-7,10,14-15H,1,8-9,11-12H2,2-4H3,(H,23,25)(H,26,27)/t14-,15-/m0/s1