4-[[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[(4S)-4-(tert-butoxycarbonylamino)-5-hydroxy-5-oxo-pentyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[(4S)-5-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[(4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[(4S)-4-(tert-butoxycarbonylamino)-5-hydroxy-5-keto-pentyl]amino]-3-nitro-benzoic acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H23N3O8/c1-17(2,3)28-16(25)19-12(15(23)24)5-4-8-18-11-7-6-10(14(21)22)9-13(11)20(26)27/h6-7,9,12,18H,4-5,8H2,1-3H3,(H,19,25)(H,21,22)(H,23,24)/t12-/m0/s1