propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[[(3S)-1-(2-thienylsulfonyl)nipecotoyl]amino]propionic acid isopropyl ester Formula: C23H30N2O6S2 MolecularWeight: 494.6241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C23H30N2O6S2/c1-16(2)31-21(26)14-20(17-8-10-19(30-3)11-9-17)24-23(27)18-6-4-12-25(15-18)33(28,29)22-7-5-13-32-22/h5,7-11,13,16,18,20H,4,6,12,14-15H2,1-3H3,(H,24,27)/t18-,20-/m0/s1