2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-3-oxidanyl-pentanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-3-oxidanyl-pentanoic acid Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-hydroxy-4-methyl-pentanoic acid CAS Name: 3-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-4-methylpentanoic acid Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-hydroxy-4-methyl-valeric acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)C(C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C20H25NO6S/c1-14(2)19(22)18(20(23)24)21(13-15-7-5-4-6-8-15)28(25,26)17-11-9-16(27-3)10-12-17/h4-12,14,18-19,22H,13H2,1-3H3,(H,23,24)