(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2-(9H-xanthen-9-ylamino)butanoic acid

Systemtic Name: (2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-2-(9H-xanthen-9-ylamino)butanoic acid Openeye Name: (2S)-4-(tert-butoxycarbonylamino)-4-oxo-2-(9H-xanthen-9-ylamino)butanoic acid CAS Name: (2S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2-(9H-xanthen-9-ylamino)butanoic acid IUPAC Name: (2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-(9H-xanthen-9-ylamino)butanoic acid Traditional Name: (2S)-4-(tert-butoxycarbonylamino)-4-keto-2-(9H-xanthen-9-ylamino)butyric acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=O)CC(C(=O)O)NC1C2=CC=CC=C2OC3=CC=CC=C13

Isomeric SMILES

CC(C)(C)OC(=O)NC(=O)C[C@@H](C(=O)O)NC1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)24-18(25)12-15(20(26)27)23-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19,23H,12H2,1-3H3,(H,26,27)(H,24,25,28)/t15-/m0/s1