(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(1H-pyrrol-2-ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl dihydrogen phosphate (Q27454647)

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

19 October 2016

chemical formula

C₁₆H₂₇N₄O₈P

1 reference

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

19 October 2016

canonical SMILES

CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCNC(=O)C1=CC=CN1)O

1 reference

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

19 October 2016

isomeric SMILES

CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)C1=CC=CN1)O

1 reference

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

InChI=1S/C16H27N4O8P/c1-16(2,10-28-29(25,26)27)13(22)15(24)19-7-5-12(21)18-8-9-20-14(23)11-4-3-6-17-11/h3-4,6,13,17,22H,5,7-10H2,1-2H3,(H,18,21)(H,19,24)(H,20,23)(H2,25,26,27)/t13-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

ZAIDVOYGNFDUKJ-ZDUSSCGKSA-N

19 October 2016

InChIKey

1 reference

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

19 October 2016

2 references

(3r)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-{[3-Oxo-3-({2-[(1h-Pyrrol-2-Ylcarbonyl)amino]ethyl}amino)propyl]amino}butyl Dihydrogen Phosphate (English)

matched by identifier from

19 October 2016

InChIKey

ZAIDVOYGNFDUKJ-ZDUSSCGKSA-N

1 reference

0 references

1 reference

2N5I (English)