N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-glutamic acid (Q27467717)

CHEMBL510924 (English)

19 October 2016

chemical formula

C₁₉H₂₄IN₃O₈

1 reference

CHEMBL510924 (English)

19 October 2016

canonical SMILES

C1=CC(=CC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)I

1 reference

CHEMBL510924 (English)

19 October 2016

isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I

1 reference

CHEMBL510924 (English)

InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL510924 (English)

ROXRILBFJQYPNZ-KBPBESRZSA-N

19 October 2016

InChIKey

1 reference

CHEMBL510924 (English)

19 October 2016

1 reference

N-({(1S)-1-Carboxy-5-[(4-iodobenzoyl)amino]pentyl}carbamoyl)-L-glutamic acid (English)

19 October 2016

2 references

CHEMBL510924 (English)

matched by identifier from

19 October 2016

InChIKey

ROXRILBFJQYPNZ-KBPBESRZSA-N

1 reference

matched by identifier from

CHEMBL510924 (English)

19 October 2016

2 references

inferred from InChIKey

InChIKey

ROXRILBFJQYPNZ-KBPBESRZSA-N

1 reference

1 reference

3D7H (English)