4-azanyl-5-[[6-azanyl-1-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-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-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-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-[[1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[3-hydroxy-1-[[1-hydroxy-4-(methylthio)-1-oxobutan-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-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C20H37N5O8S MolecularWeight: 507.60148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)O

InChI

InChI=1S/C20H37N5O8S/c1-11(26)16(19(31)24-14(20(32)33)8-10-34-2)25-18(30)13(5-3-4-9-21)23-17(29)12(22)6-7-15(27)28/h11-14,16,26H,3-10,21-22H2,1-2H3,(H,23,29)(H,24,31)(H,25,30)(H,27,28)(H,32,33)