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

Systemtic Name: [4-[(2S)-3-[methyl-(phenylmethyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]phenyl]sulfamic acid Openeye Name: [4-[(2S)-3-[benzyl(methyl)amino]-2-(tert-butoxycarbonylamino)-3-oxo-propyl]phenyl]sulfamic acid CAS Name: [4-[(2S)-3-[methyl-(phenylmethyl)amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]phenyl]sulfamic acid IUPAC Name: [4-[(2S)-3-[benzyl(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]sulfamic acid Traditional Name: [4-[(2S)-3-[benzyl(methyl)amino]-2-(tert-butoxycarbonylamino)-3-keto-propyl]phenyl]sulfamic acid Formula: C22H29N3O6S MolecularWeight: 463.54716

Click to see the large picture

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)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)NS(=O)(=O)O)C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O6S/c1-22(2,3)31-21(27)23-19(20(26)25(4)15-17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)24-32(28,29)30/h5-13,19,24H,14-15H2,1-4H3,(H,23,27)(H,28,29,30)/t19-/m0/s1