(2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholinoethyl)indole-3-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: (2S)-2-[[[7-methoxy-2-methyl-1-[2-(4-morpholinyl)ethyl]-3-indolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: (2S)-2-[[7-methoxy-2-methyl-1-(2-morpholinoethyl)indole-3-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCN3CCOCC3)C(=CC=C2)OC)C(=O)NC(CC4=CC=CS4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CCN3CCOCC3)C(=CC=C2)OC)C(=O)N[C@@H](CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H29N3O5S/c1-16-21(23(28)25-19(24(29)30)15-17-5-4-14-33-17)18-6-3-7-20(31-2)22(18)27(16)9-8-26-10-12-32-13-11-26/h3-7,14,19H,8-13,15H2,1-2H3,(H,25,28)(H,29,30)/t19-/m0/s1