4-azanyl-2-[[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonyl-(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonyl-(4-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(N-[1-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoyl]pyrrolidine-2-carbonyl]-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-amino-2-(N-[[1-[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4-amino-2-(N-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(N-[1-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoyl]prolyl]-4-nitro-anilino)-4-keto-butyric acid Formula: C26H36N6O10 MolecularWeight: 592.59824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H36N6O10/c1-14(29-25(39)42-26(3,4)5)21(34)28-15(2)22(35)30-12-6-7-18(30)23(36)31(19(24(37)38)13-20(27)33)16-8-10-17(11-9-16)32(40)41/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3,(H2,27,33)(H,28,34)(H,29,39)(H,37,38)