[[methoxycarbonyl(phenylmethoxycarbonylaminomethyl)amino]sulfanylcarbonylamino] hexanoate

Systemtic Name: [[methoxycarbonyl(phenylmethoxycarbonylaminomethyl)amino]sulfanylcarbonylamino] hexanoate Openeye Name: [[benzyloxycarbonylaminomethyl(methoxycarbonyl)amino]sulfanylcarbonylamino] hexanoate CAS Name: hexanoic acid [[[[methoxycarbonyl(phenylmethoxycarbonylaminomethyl)amino]thio]-oxomethyl]amino] ester IUPAC Name: [[methoxycarbonyl(phenylmethoxycarbonylaminomethyl)amino]sulfanylcarbonylamino] hexanoate Traditional Name: hexanoic acid [[[benzyloxycarbonylaminomethyl(carbomethoxy)amino]thio]carbonylamino] ester Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)ONC(=O)SN(CNC(=O)OCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCC(=O)ONC(=O)SN(CNC(=O)OCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H25N3O7S/c1-3-4-6-11-15(22)28-20-17(24)29-21(18(25)26-2)13-19-16(23)27-12-14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-13H2,1-2H3,(H,19,23)(H,20,24)