2-[(4-butoxyphenyl)carbonylamino]-3-(carboxymethylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-butoxyphenyl)carbonylamino]-3-(carboxymethylsulfanyl)propanoic acid Openeye Name: 2-[(4-butoxybenzoyl)amino]-3-(carboxymethylsulfanyl)propanoic acid CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(carboxymethylthio)propanoic acid IUPAC Name: 2-[(4-butoxybenzoyl)amino]-3-(carboxymethylsulfanyl)propanoic acid Traditional Name: 2-[(4-butoxybenzoyl)amino]-3-(carboxymethylthio)propionic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(CSCC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(CSCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6S/c1-2-3-8-23-12-6-4-11(5-7-12)15(20)17-13(16(21)22)9-24-10-14(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,17,20)(H,18,19)(H,21,22)