3-(oxan-2-ylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine

Systemtic Name: 3-(oxan-2-ylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine Openeye Name: 2-(benzyloxycarbonylamino)-3-tetrahydropyran-2-ylsulfanyl-propanoic acid; phenylmethanamine CAS Name: 3-(2-oxanylthio)-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine IUPAC Name: 3-(oxan-2-ylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid; phenylmethanamine Traditional Name: benzylamine; 2-(benzyloxycarbonylamino)-3-(tetrahydropyran-2-ylthio)propionic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)SCC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C1=CC=C(C=C1)CN

Isomeric SMILES

C1CCOC(C1)SCC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C1=CC=C(C=C1)CN

InChI

InChI=1S/C16H21NO5S.C7H9N/c18-15(19)13(11-23-14-8-4-5-9-21-14)17-16(20)22-10-12-6-2-1-3-7-12;8-6-7-4-2-1-3-5-7/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,20)(H,18,19);1-5H,6,8H2