[4-[(2S)-3-(methylamino)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamic acid

Systemtic Name: [4-[(2S)-3-(methylamino)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamic acid Openeye Name: [4-[(2S)-2-[(1-tert-butoxycarbonylpiperidine-4-carbonyl)amino]-3-(methylamino)-3-oxo-propyl]phenyl]sulfamic acid CAS Name: [4-[(2S)-3-(methylamino)-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl]sulfamic acid IUPAC Name: [4-[(2S)-3-(methylamino)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-3-oxopropyl]phenyl]sulfamic acid Traditional Name: [4-[(2S)-2-[(1-tert-butoxycarbonylisonipecotoyl)amino]-3-keto-3-(methylamino)propyl]phenyl]sulfamic acid Formula: C21H32N4O7S MolecularWeight: 484.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(CC2=CC=C(C=C2)NS(=O)(=O)O)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N[C@@H](CC2=CC=C(C=C2)NS(=O)(=O)O)C(=O)NC

InChI

InChI=1S/C21H32N4O7S/c1-21(2,3)32-20(28)25-11-9-15(10-12-25)18(26)23-17(19(27)22-4)13-14-5-7-16(8-6-14)24-33(29,30)31/h5-8,15,17,24H,9-13H2,1-4H3,(H,22,27)(H,23,26)(H,29,30,31)/t17-/m0/s1