(Q27166404)

BRD-K30682080-323-01-3 (English)

9 October 2016

1 reference

C₂₁H₂₂N₂O₅S

1 reference

BRD-K30682080-323-01-3 (English)

9 October 2016

canonical SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

1 reference

BRD-K30682080-323-01-3 (English)

9 October 2016

isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

1 reference

BRD-K30682080-323-01-3 (English)

InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-K30682080-323-01-3 (English)

GPXLMGHLHQJAGZ-GJYPPUQNSA-N

9 October 2016

InChIKey

2 references

BRD-K30682080-323-01-3 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K30682080-323-01-3 (English)

matched by identifier from

9 October 2016

InChIKey

GPXLMGHLHQJAGZ-GJYPPUQNSA-N

ChEBI ID

94571

mapping relation type

2 references

(2S,5S,6R)-6-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (English)