[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxy-propanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: (2S)-2-(brosylamino)-3-hydroxy-propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27BrN2O6S MolecularWeight: 515.41788

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(CO)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H27BrN2O6S/c22-16-1-3-17(4-2-16)31(28,29)24-18(11-25)20(27)30-12-19(26)23-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15,18,24-25H,5-12H2,(H,23,26)/t13?,14?,15?,18-,21?/m0/s1