(4E)-6-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-5,6-bis(oxidanylidene)-4-[oxidanyl(propan-2-yloxy)methylidene]hexanoic acid

Systemtic Name: (4E)-6-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-5,6-bis(oxidanylidene)-4-[oxidanyl(propan-2-yloxy)methylidene]hexanoic acid Openeye Name: (4E)-4-[hydroxy(isopropoxy)methylene]-6-[[1-methyl-2-(4-nitrophenyl)-3-[5-(phenylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]-5,6-dioxo-hexanoic acid CAS Name: (4E)-6-[[4-[5-[anilino(oxo)methyl]-2-furanyl]-3-(4-nitrophenyl)butan-2-yl]-(2-naphthalenylmethyl)amino]-4-[hydroxy(propan-2-yloxy)methylidene]-5,6-dioxohexanoic acid IUPAC Name: (4E)-4-[hydroxy(propan-2-yloxy)methylidene]-6-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-5,6-dioxohexanoic acid Traditional Name: (E)-5-hydroxy-5-isopropoxy-4-[2-keto-2-[[1-methyl-2-(4-nitrophenyl)-3-[5-(phenylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]acetyl]pent-4-enoic acid Formula: C42H41N3O10 MolecularWeight: 747.78904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=C(CCC(=O)O)C(=O)C(=O)N(CC1=CC2=CC=CC=C2C=C1)C(C)C(CC3=CC=C(O3)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

CC(C)O/C(=C(\CCC(=O)O)/C(=O)C(=O)N(CC1=CC2=CC=CC=C2C=C1)C(C)C(CC3=CC=C(O3)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])/O

InChI

InChI=1S/C42H41N3O10/c1-26(2)54-42(51)35(20-22-38(46)47)39(48)41(50)44(25-28-13-14-29-9-7-8-10-31(29)23-28)27(3)36(30-15-17-33(18-16-30)45(52)53)24-34-19-21-37(55-34)40(49)43-32-11-5-4-6-12-32/h4-19,21,23,26-27,36,51H,20,22,24-25H2,1-3H3,(H,43,49)(H,46,47)/b42-35+