4-[(3-naphthalen-2-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-3-[[3-phenyl-2-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoic acid

Systemtic Name: 4-[(3-naphthalen-2-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-3-[[3-phenyl-2-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-4-oxo-3-[(3-phenyl-2-tritylsulfanyl-propanoyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-4-oxo-3-[[1-oxo-3-phenyl-2-[(triphenylmethyl)thio]propyl]amino]butanoic acid IUPAC Name: 4-[(1-hydroxy-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-4-oxo-3-[(3-phenyl-2-tritylsulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-2-keto-1-(2-naphthylmethyl)ethyl]amino]-4-keto-3-[[3-phenyl-2-(tritylthio)propanoyl]amino]butyric acid Formula: C45H40N2O6S MolecularWeight: 736.8739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C45H40N2O6S/c48-41(49)30-38(42(50)47-39(44(52)53)28-32-25-26-33-17-13-14-18-34(33)27-32)46-43(51)40(29-31-15-5-1-6-16-31)54-45(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-27,38-40H,28-30H2,(H,46,51)(H,47,50)(H,48,49)(H,52,53)