6-azanyl-2-[[4-methylsulfanyl-2-[[4-oxidanyl-4-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-methylsulfanyl-2-[[4-oxidanyl-4-oxidanylidene-2-[[5-oxidanyl-5-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[4-hydroxy-2-[[5-hydroxy-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[4-hydroxy-2-[[5-hydroxy-1,5-dioxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]pentyl]amino]-1,4-dioxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[4-hydroxy-2-[[5-hydroxy-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[4-hydroxy-2-[[5-hydroxy-5-keto-2-(pyroglutamoylamino)pentanoyl]amino]-4-keto-butanoyl]amino]-4-(methylthio)butanoyl]amino]hexanoic acid Formula: C25H40N6O11S MolecularWeight: 632.6837

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)N1

Isomeric SMILES

CSCCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCC(=O)N1

InChI

InChI=1S/C25H40N6O11S/c1-43-11-9-15(23(39)30-16(25(41)42)4-2-3-10-26)29-24(40)17(12-20(35)36)31-22(38)14(6-8-19(33)34)28-21(37)13-5-7-18(32)27-13/h13-17H,2-12,26H2,1H3,(H,27,32)(H,28,37)(H,29,40)(H,30,39)(H,31,38)(H,33,34)(H,35,36)(H,41,42)