(Q27157677)

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

9 October 2016

chemical formula

C₁₃H₂₂N₄O₅

1 reference

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

9 October 2016

canonical SMILES

CCC(C)C(C(=O)O)NC(=O)C(CNC(=O)C=CC(=O)N)N

1 reference

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

9 October 2016

isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CNC(=O)/C=C/C(=O)N)N

1 reference

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

InChI=1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7-,8-,11-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

WSFQKSIBZODGPB-RWWNVWANSA-N

9 October 2016

InChIKey

1 reference

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

9 October 2016

1 reference

3-{[(2E)-4-Amino-4-oxo-2-butenoyl]amino}-L-alanyl-L-isoleucine (English)

9 October 2016

1 reference

3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine (English)

9 October 2016

Reaxys registry number

20499539

1 reference

dapdiamide B (English)

9 October 2016

ChEBI ID

85332

mapping relation type

3 references

dapdiamide B (English)