2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-methyl-butanoic acid CAS Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-methyl-butyric acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)NC=C3)C(C(C)C)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)NC=C3)C(C(C)C)C(=O)O)C)C)OC

InChI

InChI=1S/C24H30N2O5S/c1-14(2)22(24(27)28)26(13-18-7-8-20-19(12-18)9-10-25-20)32(29,30)23-15(3)11-21(31-6)16(4)17(23)5/h7-12,14,22,25H,13H2,1-6H3,(H,27,28)