4-[[1-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-hydroxy-1-[[2-[[1-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]propyl]amino]-3-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[[1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[3-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[[1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-[[2-[[1-[(2-hydroxy-2-keto-1-methylol-ethyl)carbamoyl]-2-methyl-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]propyl]amino]-4-keto-3-[[3-methyl-2-(prolylamino)pentanoyl]amino]butyric acid Formula: C31H53N7O12S MolecularWeight: 747.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)NC(=O)C1CCCN1

InChI

InChI=1S/C31H53N7O12S/c1-6-14(3)22(36-25(43)17-9-8-10-32-17)28(46)33-18(11-21(41)42)26(44)38-24(16(5)40)30(48)35-20(13-51)27(45)37-23(15(4)7-2)29(47)34-19(12-39)31(49)50/h14-20,22-24,32,39-40,51H,6-13H2,1-5H3,(H,33,46)(H,34,47)(H,35,48)(H,36,43)(H,37,45)(H,38,44)(H,41,42)(H,49,50)