(Q27231560)

UNII-02ZXX7U5JK (English)

(5R,6R)-benzylpenicilloic acid

12 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₀N₂O₅S

1 reference

UNII-02ZXX7U5JK (English)

20 November 2016

canonical SMILES

CC1(C(NC(S1)C(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C

1 reference

UNII-02ZXX7U5JK (English)

20 November 2016

isomeric SMILES

CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C

1 reference

UNII-02ZXX7U5JK (English)

InChI=1S/C16H20N2O5S/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)/t11-,12-,13-/m0/s1

20 November 2016

Identifiers

InChI

1 reference

UNII-02ZXX7U5JK (English)

HCYWNSXLUZRKJX-AVGNSLFASA-N

20 November 2016

InChIKey

1 reference

Global Substance Registration System

UNII-02ZXX7U5JK (English)

20 November 2016

1 reference

UNII

02ZXX7U5JK

(5S,6R)-benzylpenicilloic acid (English)

20 November 2016

2 references

UNII-02ZXX7U5JK (English)

matched by identifier from

20 November 2016

InChIKey

HCYWNSXLUZRKJX-AVGNSLFASA-N

1 reference

2 references

Global Substance Registration System

UNII

02ZXX7U5JK

(5S,6R)-benzylpenicilloic acid (English)