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

Systemtic Name: 4-oxidanylidene-4-[2-[[1-oxidanylidene-1-[[1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]propan-2-yl]amino]-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-[[2-[[2-[2-(pyrrolidin-2-ylcarbonylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]butanoic acid Openeye Name: 4-[2-[[2-[[2-[[1-(hydroxymethyl)-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[2-[[2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]butanoic acid CAS Name: 4-[2-[[[1-[[1-[[3-hydroxy-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-[[3-mercapto-2-[[3-mercapto-1-oxo-2-[[1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]amino]propyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[2-[[1-[[1-[[3-hydroxy-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[2-[[2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]butanoic acid Traditional Name: 4-[2-[[2-[[2-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidino]-4-keto-3-[[3-mercapto-2-[[3-mercapto-2-[2-(prolylamino)propanoylamino]propanoyl]amino]propanoyl]amino]butyric acid Formula: C35H56N10O14S4 MolecularWeight: 969.13774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C2CCCN2

Isomeric SMILES

CC(C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C2CCCN2

InChI

InChI=1S/C35H56N10O14S4/c1-15(26(49)40-19(10-46)29(52)44-23(14-63)35(58)59)38-30(53)20(11-60)43-33(56)24-6-4-8-45(24)34(57)18(9-25(47)48)39-31(54)22(13-62)42-32(55)21(12-61)41-27(50)16(2)37-28(51)17-5-3-7-36-17/h15-24,36,46,60-63H,3-14H2,1-2H3,(H,37,51)(H,38,53)(H,39,54)(H,40,49)(H,41,50)(H,42,55)(H,43,56)(H,44,52)(H,47,48)(H,58,59)