potassium; 2,5-bis(azanyl)pentanoate; 3-[3-(2-oxidanylidenepropylsulfonyl)-2-propoxy-5-[4-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propyl dihydrogen phosphate

Systemtic Name: potassium; 2,5-bis(azanyl)pentanoate; 3-[3-(2-oxidanylidenepropylsulfonyl)-2-propoxy-5-[4-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propyl dihydrogen phosphate Openeye Name: potassium; 3-[3-acetonylsulfonyl-2-propoxy-5-[4-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenoxy]propyl dihydrogen phosphate; 2,5-diaminopentanoate CAS Name: potassium; 2,5-diaminopentanoate; 3-[3-(2-oxopropylsulfonyl)-2-propoxy-5-[4-(3,4,5-trimethoxyphenyl)-2-oxolanyl]phenoxy]propyl dihydrogen phosphate IUPAC Name: potassium; 2,5-diaminopentanoate; 3-[3-(2-oxopropylsulfonyl)-2-propoxy-5-[4-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]propyl dihydrogen phosphate Traditional Name: potassium; 3-[3-acetonylsulfonyl-2-propoxy-5-[4-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenoxy]propyl dihydrogen phosphate; 2,5-diaminovalerate Formula: C33H50KN2O15PS MolecularWeight: 816.891561

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1S(=O)(=O)CC(=O)C)C2CC(CO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCOP(=O)(O)O.C(CC(C(=O)[O-])N)CN.[K+]

Isomeric SMILES

CCCOC1=C(C=C(C=C1S(=O)(=O)CC(=O)C)C2CC(CO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCOP(=O)(O)O.C(CC(C(=O)[O-])N)CN.[K+]

InChI

InChI=1S/C28H39O13PS.C5H12N2O2.K/c1-6-8-39-28-25(38-9-7-10-41-42(30,31)32)13-20(15-26(28)43(33,34)17-18(2)29)22-14-21(16-40-22)19-11-23(35-3)27(37-5)24(12-19)36-4;6-3-1-2-4(7)5(8)9;/h11-13,15,21-22H,6-10,14,16-17H2,1-5H3,(H2,30,31,32);4H,1-3,6-7H2,(H,8,9);/q;;+1/p-1