2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]butanedioic acid CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]butanedioic acid IUPAC Name: 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioic acid Traditional Name: 2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]succinic acid Formula: C45H40N2O5S MolecularWeight: 720.8745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C45H40N2O5S/c48-41(49)31-39(43(51)52)46-42(50)40(47-44(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)32-53-45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39-40,47H,31-32H2,(H,46,50)(H,48,49)(H,51,52)