2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfonyl-butanoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S)-4-methylsulfonyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S)-4-methylsulfonyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-4-mesyl-butanoyl]amino]ethyl-diisopropyl-ammonium Formula: C21H36N3O5S+ MolecularWeight: 442.59264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C(CCS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)[C@H](CCS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C21H35N3O5S/c1-16(2)24(17(3)4)13-12-22-20(25)19(11-14-30(5,27)28)23-21(26)29-15-18-9-7-6-8-10-18/h6-10,16-17,19H,11-15H2,1-5H3,(H,22,25)(H,23,26)/p+1/t19-/m0/s1