6-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-(2-oxidanylidenepropylamino)propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid

Systemtic Name: 6-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-(2-oxidanylidenepropylamino)propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid Openeye Name: 6-[3-(acetonylamino)-2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-oxo-propyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid CAS Name: 6-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-oxo-3-(2-oxopropylamino)propyl]thio]-5-hydroxyeicosa-7,9,11,14-tetraenoic acid IUPAC Name: 6-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-oxo-3-(2-oxopropylamino)propyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid Traditional Name: 6-[[3-(acetonylamino)-2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-keto-propyl]thio]-5-hydroxy-eicosa-7,9,11,14-tetraenoic acid Formula: C31H49N3O8S MolecularWeight: 623.80106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)C)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)C)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C31H49N3O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27(26(36)16-15-18-29(38)39)43-22-25(30(40)33-21-23(2)35)34-28(37)20-19-24(32)31(41)42/h7-8,10-14,17,24-27,36H,3-6,9,15-16,18-22,32H2,1-2H3,(H,33,40)(H,34,37)(H,38,39)(H,41,42)