(Q27157676)

dapdiamide A (English)

9 October 2016

chemical formula

C₁₂H₂₀N₄O₅

1 reference

dapdiamide A (English)

9 October 2016

canonical SMILES

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

1 reference

dapdiamide A (English)

9 October 2016

isomeric SMILES

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

1 reference

dapdiamide A (English)

InChI=1S/C12H20N4O5/c1-6(2)10(12(20)21)16-11(19)7(13)5-15-9(18)4-3-8(14)17/h3-4,6-7,10H,5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/b4-3+/t7-,10-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

dapdiamide A (English)

JAGLEOBXISHNNM-BRUQVKLWSA-N

9 October 2016

InChIKey

1 reference

dapdiamide A (English)

9 October 2016

1 reference

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

9 October 2016

2 references

dapdiamide A (English)

9 October 2016

JAGLEOBXISHNNM-BRUQVKLWSA-N

InChIKey

86583459

1 reference

JAGLEOBXISHNNM-BRUQVKLWSA-N

InChIKey

Reaxys registry number

20499534

1 reference

dapdiamide A (English)

9 October 2016

ChEBI ID

85330

mapping relation type

3 references

dapdiamide A (English)

9 October 2016

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C12H20N4O5/c1-6(2)10(12(20)21)16-11(19)7(13)5-15-9(18)4-3-8(14)17/h3-4,6-7,10H,5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/b4-3+/t7-,10-/m0/s1

84320

mapping relation type

exact match

1 reference