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

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-[[1-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[3-hydroxy-1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[3-hydroxy-1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]propyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C21H35N7O8 MolecularWeight: 513.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)O

InChI

InChI=1S/C21H35N7O8/c1-11(29)17(20(34)27-15(21(35)36)8-12-9-24-10-25-12)28-19(33)14(4-2-3-7-22)26-18(32)13(23)5-6-16(30)31/h9-11,13-15,17,29H,2-8,22-23H2,1H3,(H,24,25)(H,26,32)(H,27,34)(H,28,33)(H,30,31)(H,35,36)