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

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C25H39N3O7S MolecularWeight: 525.65806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O7S/c1-24(2,3)15-9-14(10-16(21(15)32)25(4,5)6)12-36-13-18(22(33)27-11-20(30)31)28-19(29)8-7-17(26)23(34)35/h9-10,17-18,32H,7-8,11-13,26H2,1-6H3,(H,27,33)(H,28,29)(H,30,31)(H,34,35)/t17-,18-/m0/s1