2-[(1-butylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(1-butylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(1-butylsulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[(1-butylsulfonyl-4-mercapto-2-pyrrolidinyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(1-butylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(1-butylsulfonyl-4-mercapto-prolyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C18H26N2O6S2 MolecularWeight: 430.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC(CC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

Isomeric SMILES

CCCCS(=O)(=O)N1CC(CC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

InChI

InChI=1S/C18H26N2O6S2/c1-2-3-8-28(25,26)20-11-14(27)10-16(20)17(22)19-15(18(23)24)9-12-4-6-13(21)7-5-12/h4-7,14-16,21,27H,2-3,8-11H2,1H3,(H,19,22)(H,23,24)