Boc-DON-Gln-Ile-Val-OMe (Q27140088)

Methyl 6-diazo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-5-oxo-L-norleucyl-L-glutaminyl-L-isoleucyl-L-valinate (English)

7 October 2016

chemical formula

C₂₈H₄₇N₇O₉

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)(C(C(=NC(C(C)C)(C(=O)OC)[H])O)(N=C(C(CCC(=N)O)(N=C(C(CCC(C=[N+]=[N-])=O)(N=C(O)OC(C)(C)C)[H])O)[H])O)[H])[H]

1 reference

Boc-DON-Gln-Ile-Val-OMe (English)

7 October 2016

isomeric SMILES

CC[C@](C)([C@@](C(=N[C@@](C(C)C)(C(=O)OC)[H])O)(N=C([C@](CCC(=N)O)(N=C([C@](CCC(C=[N+]=[N-])=O)(N=C(O)OC(C)(C)C)[H])O)[H])O)[H])[H]

1 reference

Boc-DON-Gln-Ile-Val-OMe (English)

InChI=1S/C28H47N7O9/c1-9-16(4)22(25(40)34-21(15(2)3)26(41)43-8)35-24(39)18(12-13-20(29)37)32-23(38)19(11-10-17(36)14-31-30)33-27(42)44-28(5,6)7/h14-16,18-19,21-22H,9-13H2,1-8H3,(H2,29,37)(H,32,38)(H,33,42)(H,34,40)(H,35,39)/t16-,18-,19-,21-,22-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

Boc-DON-Gln-Ile-Val-OMe (English)

PZEJVHJJSBKTSS-ITJSPEIASA-N

7 October 2016

InChIKey

2 references

Boc-DON-Gln-Ile-Val-OMe (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

matched by identifier from

Methyl 6-diazo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-5-oxo-L-norleucyl-L-glutaminyl-L-isoleucyl-L-valinate (English)

7 October 2016

2 references

26 December 2021

InChIKey

PZEJVHJJSBKTSS-ITJSPEIASA-N

Reaxys registry number

22280277

1 reference

Boc-DON-Gln-Ile-Val-OMe (English)

7 October 2016

ChEBI ID

72703

mapping relation type

2 references

Boc-DON-Gln-Ile-Val-OMe (English)