(Q27124315)

BPO-butylamine (English)

6 October 2016

chemical formula

C₂₀H₂₉N₃O₄S

1 reference

BPO-butylamine (English)

6 October 2016

canonical SMILES

CCCCNC(=O)C(C1NC(C(S1)(C)C)C(=O)O)NC(=O)CC2=CC=CC=C2

1 reference

BPO-butylamine (English)

6 October 2016

isomeric SMILES

CCCCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)NC(=O)CC2=CC=CC=C2

1 reference

BPO-butylamine (English)

InChI=1S/C20H29N3O4S/c1-4-5-11-21-17(25)15(18-23-16(19(26)27)20(2,3)28-18)22-14(24)12-13-9-7-6-8-10-13/h6-10,15-16,18,23H,4-5,11-12H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)/t15-,16+,18-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

BPO-butylamine (English)

QRLSGQYOHPQEPE-SOLBZPMBSA-N

6 October 2016

InChIKey

2 references

BPO-butylamine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,4S)-2-{(1R)-2-(Butylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (English)

6 October 2016

2 references

BPO-butylamine (English)

matched by identifier from

6 October 2016

InChIKey

QRLSGQYOHPQEPE-SOLBZPMBSA-N

ChEBI ID

55472

mapping relation type

2 references

benzylpenicilloyl-butylamine (English)