4-[4-[3-methyl-1-[[4-methyl-3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]oxy-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-methyl-1-[[4-methyl-3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]oxy-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[1-[[2-hydroxy-1-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propoxy]-1-methyl-3-oxo-2-[(2-phenylacetyl)amino]propoxy]-4-oxo-butanoic acid CAS Name: 4-[4-[1-[[3-hydroxy-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-4-oxo-3-[(1-oxo-2-phenylethyl)amino]butan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[4-[1-[[3-hydroxy-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-4-oxo-3-[(2-phenylacetyl)amino]butan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[3-[1-[[2-hydroxy-1-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propoxy]-3-keto-1-methyl-2-[(2-phenylacetyl)amino]propoxy]-4-keto-butyric acid Formula: C30H43N3O12S MolecularWeight: 669.74032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)NC(CS)C(=O)O)NC(=O)C(C(C)C)OC(=O)C(C(C)OC(=O)CCC(=O)O)NC(=O)CC1=CC=CC=C1)O

Isomeric SMILES

CC(C)C(C(C(=O)NC(CS)C(=O)O)NC(=O)C(C(C)C)OC(=O)C(C(C)OC(=O)CCC(=O)O)NC(=O)CC1=CC=CC=C1)O

InChI

InChI=1S/C30H43N3O12S/c1-15(2)25(38)24(27(39)31-19(14-46)29(41)42)33-28(40)26(16(3)4)45-30(43)23(17(5)44-22(37)12-11-21(35)36)32-20(34)13-18-9-7-6-8-10-18/h6-10,15-17,19,23-26,38,46H,11-14H2,1-5H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,41,42)