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

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophene-3-carbonylamino)propanoylamino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[3-(thiophene-3-carbonylamino)propanoylamino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[3-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-27-20(26)17(10-14-11-22-16-5-3-2-4-15(14)16)23-18(24)6-8-21-19(25)13-7-9-28-12-13/h2-5,7,9,11-12,17,22H,6,8,10H2,1H3,(H,21,25)(H,23,24)/t17-/m1/s1