2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[(1-tyrosylprolyl)amino]butyric acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C19H27N3O5S/c1-28-10-8-15(19(26)27)21-17(24)16-3-2-9-22(16)18(25)14(20)11-12-4-6-13(23)7-5-12/h4-7,14-16,23H,2-3,8-11,20H2,1H3,(H,21,24)(H,26,27)