3-azanyl-4-[[4-methyl-1-oxidanylidene-1-[2-[[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]carbamoyl]pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[4-methyl-1-oxidanylidene-1-[2-[[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]carbamoyl]pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[2-[[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[2-[[[2-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[2-[[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[2-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]amino]-4-keto-butyric acid Formula: C20H33N5O8S MolecularWeight: 503.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C20H33N5O8S/c1-10(2)6-12(24-17(29)11(21)7-16(27)28)19(31)25-5-3-4-14(25)18(30)22-8-15(26)23-13(9-34)20(32)33/h10-14,34H,3-9,21H2,1-2H3,(H,22,30)(H,23,26)(H,24,29)(H,27,28)(H,32,33)