(4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(3S)-1-oxidanyl-1,4-bis(oxidanylidene)-5-sulfanyl-pentan-3-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-[[(3S)-1-oxidanyl-1,4-bis(oxidanylidene)-5-sulfanyl-pentan-3-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)-1-(carboxymethyl)-2-oxo-3-sulfanyl-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-[[(3S)-1-hydroxy-5-mercapto-1,4-dioxopentan-3-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-[[(3S)-1-hydroxy-1,4-dioxo-5-sulfanylpentan-3-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)-1-(carboxymethyl)-2-keto-3-mercapto-propyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C21H32N4O11S MolecularWeight: 548.56398

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H32N4O11S/c1-9(2)18(21(36)24-12(6-16(30)31)14(27)8-37)25-19(34)11(4-5-15(28)29)23-20(35)13(7-17(32)33)22-10(3)26/h9,11-13,18,37H,4-8H2,1-3H3,(H,22,26)(H,23,35)(H,24,36)(H,25,34)(H,28,29)(H,30,31)(H,32,33)/t11-,12-,13-,18-/m0/s1