(4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-sulfanyl-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-sulfanyl-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-[[(1S)-3-hydroxy-3-oxo-1-sulfanylcarbonyl-propyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1-mercapto-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1,4-dioxo-1-sulfanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-1-[[(1S)-3-hydroxy-3-keto-1-thiocarboxy-propyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C20H30N4O11S MolecularWeight: 534.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)S)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O11S/c1-8(2)16(19(34)23-12(20(35)36)7-15(30)31)24-17(32)10(4-5-13(26)27)22-18(33)11(6-14(28)29)21-9(3)25/h8,10-12,16H,4-7H2,1-3H3,(H,21,25)(H,22,33)(H,23,34)(H,24,32)(H,26,27)(H,28,29)(H,30,31)(H,35,36)/t10-,11-,12-,16-/m0/s1