[4-[(2S)-3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamic acid

Systemtic Name: [4-[(2S)-3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamic acid Openeye Name: [4-[(2S)-2-(tert-butoxycarbonylamino)-3-(dimethylamino)-3-oxo-propyl]phenyl]sulfamic acid CAS Name: [4-[(2S)-3-(dimethylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl]sulfamic acid IUPAC Name: [4-[(2S)-3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]sulfamic acid Traditional Name: [4-[(2S)-2-(tert-butoxycarbonylamino)-3-(dimethylamino)-3-keto-propyl]phenyl]sulfamic acid Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NS(=O)(=O)O)C(=O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)NS(=O)(=O)O)C(=O)N(C)C

InChI

InChI=1S/C16H25N3O6S/c1-16(2,3)25-15(21)17-13(14(20)19(4)5)10-11-6-8-12(9-7-11)18-26(22,23)24/h6-9,13,18H,10H2,1-5H3,(H,17,21)(H,22,23,24)/t13-/m0/s1