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

Systemtic Name: 4-[4-azanyl-2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-butyl]sulfanyl-6-ethoxy-6-oxidanylidene-hexanoic acid Openeye Name: 4-[4-amino-2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-oxo-butyl]sulfanyl-6-ethoxy-6-oxo-hexanoic acid CAS Name: 4-[[4-amino-2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-oxobutyl]thio]-6-ethoxy-6-oxohexanoic acid IUPAC Name: 4-[4-amino-2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-oxobutyl]sulfanyl-6-ethoxy-6-oxohexanoic acid Traditional Name: 4-[[4-amino-2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-keto-butyl]thio]-6-ethoxy-6-keto-hexanoic acid Formula: C17H29N3O8S MolecularWeight: 435.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O8S/c1-2-28-16(25)7-10(3-6-15(23)24)29-9-12(13(21)8-18)20-14(22)5-4-11(19)17(26)27/h10-12H,2-9,18-19H2,1H3,(H,20,22)(H,23,24)(H,26,27)