methyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-(4-thiophen-2-ylcarbonylphenyl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-(4-thiophen-2-ylcarbonylphenyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-2-[4-(2-thenoyl)phenyl]propanoyl]amino]propionic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H26N2O4S/c1-27(2,19-12-10-17(11-13-19)24(30)23-9-6-14-34-23)26(32)29-22(25(31)33-3)15-18-16-28-21-8-5-4-7-20(18)21/h4-14,16,22,28H,15H2,1-3H3,(H,29,32)/t22-/m0/s1