(2S)-2-azanyl-5-[[(2R)-3-[3-tert-butyl-2,5-bis(oxidanyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-3-[3-tert-butyl-2,5-bis(oxidanyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-1-[(3-tert-butyl-2,5-dihydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-3-[(3-tert-butyl-2,5-dihydroxyphenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-3-(3-tert-butyl-2,5-dihydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-1-[[(3-tert-butyl-2,5-dihydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C20H29N3O8S MolecularWeight: 471.52456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C20H29N3O8S/c1-20(2,3)11-6-10(24)7-14(17(11)28)32-9-13(18(29)22-8-16(26)27)23-15(25)5-4-12(21)19(30)31/h6-7,12-13,24,28H,4-5,8-9,21H2,1-3H3,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t12-,13-/m0/s1