3-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-4-[2-[2-[[3-oxidanyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]butanoic acid

Systemtic Name: 3-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-oxidanylidene-4-[2-[2-[[3-oxidanyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidin-1-yl]butanoic acid Openeye Name: 3-[(2-amino-3-hydroxy-propanoyl)amino]-4-[2-[2-[[2-hydroxy-1-[[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-3-hydroxy-1-oxopropyl)amino]-4-[2-[[2-[[[3-hydroxy-1-[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-3-hydroxypropanoyl)amino]-4-[2-[2-[[3-hydroxy-1-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: 3-[(2-amino-3-hydroxy-propanoyl)amino]-4-[2-[2-[[2-hydroxy-1-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]propyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidino]-4-keto-butyric acid Formula: C27H43N7O12S MolecularWeight: 689.73502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CO)N)O

Isomeric SMILES

CC(C(C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CO)N)O

InChI

InChI=1S/C27H43N7O12S/c1-12(21(39)31-16(11-47)27(45)46)29-24(42)20(13(2)36)32-23(41)17-5-3-7-33(17)26(44)18-6-4-8-34(18)25(43)15(9-19(37)38)30-22(40)14(28)10-35/h12-18,20,35-36,47H,3-11,28H2,1-2H3,(H,29,42)(H,30,40)(H,31,39)(H,32,41)(H,37,38)(H,45,46)