2-[carboxy-[2-(3-thiophen-3-ylphenyl)ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-(3-thiophen-3-ylphenyl)ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[3-(3-thienyl)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[3-(3-thiophenyl)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-(3-thiophen-3-ylphenyl)ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[3-(3-thienyl)phenyl]ethyl]amino]-4-methyl-valeric acid Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CC=CC(=C1)C2=CSC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CC=CC(=C1)C2=CSC=C2)C(=O)O

InChI

InChI=1S/C19H23NO4S/c1-13(2)10-17(18(21)22)20(19(23)24)8-6-14-4-3-5-15(11-14)16-7-9-25-12-16/h3-5,7,9,11-13,17H,6,8,10H2,1-2H3,(H,21,22)(H,23,24)