(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (Q27453325)

CID73010409 (English)

(2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₃BrN₂O₅

1 reference

CID73010409 (English)

19 October 2016

canonical SMILES

C1CC2=C(CC1C(=O)O)N(C3=C2C=C(C=C3)Br)CC(=O)NC(CC4=CC=CC=C4)C(=O)O

1 reference

CID73010409 (English)

19 October 2016

isomeric SMILES

C1CC2=C(C[C@@H]1C(=O)O)N(C3=C2C=C(C=C3)Br)CC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

1 reference

CID73010409 (English)

InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CID73010409 (English)

VVKCJZLVMZAHBK-BEFAXECRSA-N

19 October 2016

InChIKey

1 reference

CID73010409 (English)

19 October 2016

2 references

CID73010409 (English)

matched by identifier from

19 October 2016

InChIKey

VVKCJZLVMZAHBK-BEFAXECRSA-N

1 reference

CHEMBL3577290 (English)

19 October 2016

1 reference

0 references

1 reference

4PNW (English)