4-[4-azanyl-2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-butyl]sulfanyl-6-methoxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 4-[4-azanyl-2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-butyl]sulfanyl-6-methoxy-6-oxidanylidene-hexanoic acid Openeye Name: 4-[4-amino-2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-oxo-butyl]sulfanyl-6-methoxy-6-oxo-hexanoic acid CAS Name: 4-[[4-amino-2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-oxobutyl]thio]-6-methoxy-6-oxohexanoic acid IUPAC Name: 4-[4-amino-2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-oxobutyl]sulfanyl-6-methoxy-6-oxohexanoic acid Traditional Name: 4-[[4-amino-2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-keto-butyl]thio]-6-keto-6-methoxy-hexanoic acid Formula: C16H27N3O8S MolecularWeight: 421.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC(=O)O)SCC(C(=O)CN)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

COC(=O)CC(CCC(=O)O)SCC(C(=O)CN)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C16H27N3O8S/c1-27-15(24)6-9(2-5-14(22)23)28-8-11(12(20)7-17)19-13(21)4-3-10(18)16(25)26/h9-11H,2-8,17-18H2,1H3,(H,19,21)(H,22,23)(H,25,26)