2-(butoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 2-(butoxycarbonylamino)-3-tritylsulfanyl-propanoic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: 2-(butoxycarbonylamino)-3-tritylsulfanylpropanoic acid Traditional Name: 2-(butoxycarbonylamino)-3-(tritylthio)propionic acid Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H29NO4S/c1-2-3-19-32-26(31)28-24(25(29)30)20-33-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,28,31)(H,29,30)