3-carboxy-5-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 3-carboxy-5-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 3-carboxy-4-hydroxy-5-[[1-methyl-2-(4-nitrophenyl)-3-[5-(phenylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]-5-oxo-pentanoate CAS Name: 5-[[4-[5-[anilino(oxo)methyl]-2-furanyl]-3-(4-nitrophenyl)butan-2-yl]-(2-naphthalenylmethyl)amino]-3-carboxy-4-hydroxy-5-oxopentanoate IUPAC Name: 3-carboxy-4-hydroxy-5-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-5-oxopentanoate Traditional Name: 3-carboxy-4-hydroxy-5-keto-5-[[1-methyl-2-(4-nitrophenyl)-3-[5-(phenylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]valerate Formula: C38H34N3O10- MolecularWeight: 692.69066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)C(C(CC(=O)[O-])C(=O)O)O

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)C(C(CC(=O)[O-])C(=O)O)O

InChI

InChI=1S/C38H35N3O10/c1-23(40(37(46)35(44)32(38(47)48)21-34(42)43)22-24-11-12-25-7-5-6-8-27(25)19-24)31(26-13-15-29(16-14-26)41(49)50)20-30-17-18-33(51-30)36(45)39-28-9-3-2-4-10-28/h2-19,23,31-32,35,44H,20-22H2,1H3,(H,39,45)(H,42,43)(H,47,48)/p-1