[(3R,5S)-5-aminocarbonyl-1-(3-methoxy-4-oxidanyl-phenyl)carbonyl-pyrrolidin-3-yl] N-[(2S)-2-azanyl-3-phenyl-propanoyl]sulfamate

Systemtic Name: [(3R,5S)-5-aminocarbonyl-1-(3-methoxy-4-oxidanyl-phenyl)carbonyl-pyrrolidin-3-yl] N-[(2S)-2-azanyl-3-phenyl-propanoyl]sulfamate Openeye Name: [(3R,5S)-5-carbamoyl-1-(4-hydroxy-3-methoxy-benzoyl)pyrrolidin-3-yl] N-[(2S)-2-amino-3-phenyl-propanoyl]sulfamate CAS Name: N-[(2S)-2-amino-1-oxo-3-phenylpropyl]sulfamic acid [(3R,5S)-5-carbamoyl-1-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-5-carbamoyl-1-(4-hydroxy-3-methoxybenzoyl)pyrrolidin-3-yl] N-[(2S)-2-amino-3-phenylpropanoyl]sulfamate Traditional Name: N-[(2S)-2-amino-3-phenyl-propanoyl]sulfamic acid [(3R,5S)-5-carbamoyl-1-vanilloyl-pyrrolidin-3-yl] ester Formula: C22H26N4O8S MolecularWeight: 506.52884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC(CC2C(=O)N)OS(=O)(=O)NC(=O)C(CC3=CC=CC=C3)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2C[C@@H](C[C@H]2C(=O)N)OS(=O)(=O)NC(=O)[C@H](CC3=CC=CC=C3)N)O

InChI

InChI=1S/C22H26N4O8S/c1-33-19-10-14(7-8-18(19)27)22(30)26-12-15(11-17(26)20(24)28)34-35(31,32)25-21(29)16(23)9-13-5-3-2-4-6-13/h2-8,10,15-17,27H,9,11-12,23H2,1H3,(H2,24,28)(H,25,29)/t15-,16+,17+/m1/s1