(2S)-2-azanyl-6-[[(2R,3S)-1-[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-1-oxidanylidene-3-sulfanyl-butan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[(2R,3S)-1-[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-1-oxidanylidene-3-sulfanyl-butan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: (2S)-2-amino-6-[[(1R,2S)-1-[(1R)-1-carboxy-2-methyl-propoxy]carbonyl-2-sulfanyl-propyl]amino]-6-oxo-hexanoic acid CAS Name: (2S)-2-amino-6-[[(2R,3S)-1-[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]oxy-3-mercapto-1-oxobutan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: (2S)-2-amino-6-[[(2R,3S)-1-[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]oxy-1-oxo-3-sulfanylbutan-2-yl]amino]-6-oxohexanoic acid Traditional Name: (2S)-2-amino-6-[[(1R,2S)-1-[(1R)-1-carboxy-2-methyl-propoxy]carbonyl-2-mercapto-propyl]amino]-6-keto-hexanoic acid Formula: C15H26N2O7S MolecularWeight: 378.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC(=O)C(C(C)S)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

C[C@@H]([C@@H](C(=O)O[C@H](C(C)C)C(=O)O)NC(=O)CCC[C@@H](C(=O)O)N)S

InChI

InChI=1S/C15H26N2O7S/c1-7(2)12(14(21)22)24-15(23)11(8(3)25)17-10(18)6-4-5-9(16)13(19)20/h7-9,11-12,25H,4-6,16H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)/t8-,9-,11-,12+/m0/s1