(5R,6S,8S)-8-(3-{[amino(imino)methyl]amino}phenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide (Q27456941)

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

19 October 2016

chemical formula

C₂₁H₂₇N₄O₇P

1 reference

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

19 October 2016

canonical SMILES

CC(C)C(NC(=O)OCC1=CC=CC=C1)P(=O)(O)OC(C2=CC(=CC=C2)N=C(N)N)C(=O)O

1 reference

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

19 October 2016

isomeric SMILES

CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)P(=O)(O)O[C@@H](C2=CC(=CC=C2)N=C(N)N)C(=O)O

1 reference

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

InChI=1S/C21H27N4O7P/c1-13(2)18(25-21(28)31-12-14-7-4-3-5-8-14)33(29,30)32-17(19(26)27)15-9-6-10-16(11-15)24-20(22)23/h3-11,13,17-18H,12H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t17-,18+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

MGJJGNQEZQSCJT-ZWKOTPCHSA-N

19 October 2016

InChIKey

1 reference

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

19 October 2016

1 reference

(5R,8S)-8-(3-Carbamimidamidophenyl)-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide (English)

19 October 2016

1 reference

(5r,6s,8s)-8-(3-{[amino(Imino)methyl]amino}phenyl)-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide (English)

19 October 2016

1 reference

0 references

1 reference

2PJ0 (English)