4-azanyl-5-[[6-azanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[1-(hydroxymethyl)-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[3-hydroxy-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[3-hydroxy-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C17H31N5O8S MolecularWeight: 465.52174

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C(CCN)CC(C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C17H31N5O8S/c18-6-2-1-3-10(20-14(26)9(19)4-5-13(24)25)15(27)21-11(7-23)16(28)22-12(8-31)17(29)30/h9-12,23,31H,1-8,18-19H2,(H,20,26)(H,21,27)(H,22,28)(H,24,25)(H,29,30)