methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophene-2-carbonylamino)propanoylamino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophene-2-carbonylamino)propanoylamino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[3-(2-thenoylamino)propanoylamino]propionic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-27-20(26)16(11-13-12-22-15-6-3-2-5-14(13)15)23-18(24)8-9-21-19(25)17-7-4-10-28-17/h2-7,10,12,16,22H,8-9,11H2,1H3,(H,21,25)(H,23,24)/t16-/m1/s1