(Q27124317)

6APA-butylamine (English)

6 October 2016

chemical formula

C₁₂H₂₃N₃O₃S

1 reference

6APA-butylamine (English)

6 October 2016

canonical SMILES

CCCCNC(=O)C(C1NC(C(S1)(C)C)C(=O)O)N

1 reference

6APA-butylamine (English)

6 October 2016

isomeric SMILES

CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)N

1 reference

6APA-butylamine (English)

InChI=1S/C12H23N3O3S/c1-4-5-6-14-9(16)7(13)10-15-8(11(17)18)12(2,3)19-10/h7-8,10,15H,4-6,13H2,1-3H3,(H,14,16)(H,17,18)/t7-,8+,10-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

6APA-butylamine (English)

FJEOKGAUBIDOBJ-KHQFGBGNSA-N

6 October 2016

InChIKey

2 references

6APA-butylamine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,4S)-2-[(1R)-1-Amino-2-(butylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (English)

6 October 2016

2 references

6APA-butylamine (English)

matched by identifier from

6 October 2016

InChIKey

FJEOKGAUBIDOBJ-KHQFGBGNSA-N

ChEBI ID

55475

mapping relation type

2 references

6-aminopenicilloyl-butylamine (English)