N-ethylethanamine; 2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: N-ethylethanamine; 2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoic acid; N-ethylethanamine CAS Name: N-ethylethanamine; 2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propanoic acid IUPAC Name: N-ethylethanamine; 2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(tritylthio)propionic acid; diethylamine Formula: C34H38N2O4S MolecularWeight: 570.74152

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCNCC.C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H27NO4S.C4H11N/c32-28(33)27(31-29(34)35-21-23-13-5-1-6-14-23)22-36-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-5-4-2/h1-20,27H,21-22H2,(H,31,34)(H,32,33);5H,3-4H2,1-2H3