4-azanyl-5-[[6-azanyl-1-[[1-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-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]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C22H37N7O7S MolecularWeight: 543.63688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N7O7S/c1-37-9-7-16(21(34)29-17(22(35)36)10-13-11-25-12-26-13)28-20(33)15(4-2-3-8-23)27-19(32)14(24)5-6-18(30)31/h11-12,14-17H,2-10,23-24H2,1H3,(H,25,26)(H,27,32)(H,28,33)(H,29,34)(H,30,31)(H,35,36)