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

Systemtic Name: ethyl 3-[5-[3-(azepan-1-yl)propyl]thiophen-2-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl 3-[5-[3-(azepan-1-yl)propyl]-2-thienyl]-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3-[5-[3-(1-azepanyl)propyl]-2-thiophenyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-[3-(azepan-1-yl)propyl]thiophen-2-yl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[5-[3-(azepan-1-yl)propyl]-2-thienyl]-2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid ethyl ester Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CCCN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CCCN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O5S/c1-2-32-25(30)23(27-26(31)33-19-20-11-6-5-7-12-20)24(29)22-15-14-21(34-22)13-10-18-28-16-8-3-4-9-17-28/h5-7,11-12,14-15,23-24,29H,2-4,8-10,13,16-19H2,1H3,(H,27,31)