[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-(4-azidobutylsulfonyl)carbamic acid

Systemtic Name: [1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-(4-azidobutylsulfonyl)carbamic acid Openeye Name: [2-[2-(aminomethyl)pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]-(4-azidobutylsulfonyl)carbamic acid CAS Name: [1-[2-(aminomethyl)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-(4-azidobutylsulfonyl)carbamic acid IUPAC Name: [1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-(4-azidobutylsulfonyl)carbamic acid Traditional Name: [2-[2-(aminomethyl)pyrrolidino]-1-benzyl-2-keto-ethyl]-(4-azidobutylsulfonyl)carbamic acid Formula: C19H28N6O5S MolecularWeight: 452.52782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N(C(=O)O)S(=O)(=O)CCCCN=[N+]=[N-])CN

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N(C(=O)O)S(=O)(=O)CCCCN=[N+]=[N-])CN

InChI

InChI=1S/C19H28N6O5S/c20-14-16-9-6-11-24(16)18(26)17(13-15-7-2-1-3-8-15)25(19(27)28)31(29,30)12-5-4-10-22-23-21/h1-3,7-8,16-17H,4-6,9-14,20H2,(H,27,28)