methyl (2R)-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-3-hydroxy-2-[3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoylamino]propanoate CAS Name: (2R)-3-hydroxy-2-[[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-hydroxy-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]propanoate Traditional Name: (2R)-3-hydroxy-2-[3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoylamino]propionic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)NC(CO)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)N[C@H](CO)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C20H22N2O4S/c1-12-5-7-15-14(10-12)13(19(22-15)17-4-3-9-27-17)6-8-18(24)21-16(11-23)20(25)26-2/h3-5,7,9-10,16,22-23H,6,8,11H2,1-2H3,(H,21,24)/t16-/m1/s1