propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[4-(3-thenoylamino)butanoylamino]propionic acid isopropyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C22H28N2O5S/c1-15(2)29-21(26)13-19(16-6-8-18(28-3)9-7-16)24-20(25)5-4-11-23-22(27)17-10-12-30-14-17/h6-10,12,14-15,19H,4-5,11,13H2,1-3H3,(H,23,27)(H,24,25)/t19-/m0/s1