2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]-phenyl-amino]-3-methyl-heptanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]-phenyl-amino]-3-methyl-heptanoic acid Openeye Name: 2-(N-[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-sulfanyl-propanoyl]anilino)-3-methyl-heptanoic acid CAS Name: 2-(N-[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-mercapto-1-oxopropyl]anilino)-3-methylheptanoic acid IUPAC Name: 2-(N-[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]anilino)-3-methylheptanoic acid Traditional Name: 2-(N-[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-mercapto-propanoyl]anilino)-3-methyl-enanthic acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C(=O)O)N(C1=CC=CC=C1)C(=O)C(CS)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CCCCC(C)C(C(=O)O)N(C1=CC=CC=C1)C(=O)C(CS)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C22H33N3O6S/c1-3-4-8-14(2)19(22(30)31)25(15-9-6-5-7-10-15)21(29)17(13-32)24-20(28)16(23)11-12-18(26)27/h5-7,9-10,14,16-17,19,32H,3-4,8,11-13,23H2,1-2H3,(H,24,28)(H,26,27)(H,30,31)