3-[[3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexanoylamino]-5-nitro-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexanoylamino]-5-nitro-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexanoylamino]-5-nitro-benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[6-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-1-oxohexyl]amino]-5-nitrophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[6-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]hexanoylamino]-5-nitrobenzoyl]amino]propanoic acid Traditional Name: 3-[[3-[6-[bis(tert-butoxycarbonylamino)methyleneamino]hexanoylamino]-5-nitro-benzoyl]amino]propionic acid Formula: C27H40N6O10 MolecularWeight: 608.6407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NCCC(=O)O)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NCCC(=O)O)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N6O10/c1-26(2,3)42-24(38)31-23(32-25(39)43-27(4,5)6)29-12-9-7-8-10-20(34)30-18-14-17(15-19(16-18)33(40)41)22(37)28-13-11-21(35)36/h14-16H,7-13H2,1-6H3,(H,28,37)(H,30,34)(H,35,36)(H2,29,31,32,38,39)