[5-(azepan-1-ylmethyl)thiophen-2-yl] 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [5-(azepan-1-ylmethyl)-2-thienyl] 2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid [5-(1-azepanylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid [5-(azepan-1-ylmethyl)-2-thienyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(S2)OC(=O)C(CO)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(S2)OC(=O)C(CO)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O5S/c25-15-19(23-22(27)28-16-17-8-4-3-5-9-17)21(26)29-20-11-10-18(30-20)14-24-12-6-1-2-7-13-24/h3-5,8-11,19,25H,1-2,6-7,12-16H2,(H,23,27)