(2S)-2-azanyl-5-[[(2R)-3-[[3-tert-butyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-phenyl]methylsulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-3-[[3-tert-butyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-phenyl]methylsulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-1-[[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-3-[[3-tert-butyl-4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)phenyl]methylthio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-3-[[3-tert-butyl-4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)phenyl]methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-1-[[[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)benzyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C25H39N3O8S MolecularWeight: 541.65746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(C)(C)CO)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(C)(C)CO)O

InChI

InChI=1S/C25H39N3O8S/c1-24(2,3)15-8-14(9-16(21(15)33)25(4,5)13-29)11-37-12-18(22(34)27-10-20(31)32)28-19(30)7-6-17(26)23(35)36/h8-9,17-18,29,33H,6-7,10-13,26H2,1-5H3,(H,27,34)(H,28,30)(H,31,32)(H,35,36)/t17-,18-/m0/s1