ethyl {(1S)-5-amino-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate (Q27458643)

CHEMBL214368 (English)

19 October 2016

chemical formula

C₂₈H₃₃N₅O₅

1 reference

CHEMBL214368 (English)

19 October 2016

canonical SMILES

CCOC(=O)NC(CCCCN)C(=O)C1=NOC(=N1)CC2=CC=C(C=C2)C(=O)NC3CC4=CC=CC=C4C3

1 reference

CHEMBL214368 (English)

19 October 2016

isomeric SMILES

CCOC(=O)N[C@@H](CCCCN)C(=O)C1=NOC(=N1)CC2=CC=C(C=C2)C(=O)NC3CC4=CC=CC=C4C3

1 reference

CHEMBL214368 (English)

InChI=1S/C28H33N5O5/c1-2-37-28(36)31-23(9-5-6-14-29)25(34)26-32-24(38-33-26)15-18-10-12-19(13-11-18)27(35)30-22-16-20-7-3-4-8-21(20)17-22/h3-4,7-8,10-13,22-23H,2,5-6,9,14-17,29H2,1H3,(H,30,35)(H,31,36)/t23-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL214368 (English)

PWHBUXLKTXHYAP-QHCPKHFHSA-N

19 October 2016

InChIKey

1 reference

CHEMBL214368 (English)

19 October 2016

1 reference

Ethyl [(2S)-6-amino-1-{5-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzyl]-1,2,4-oxadiazol-3-yl}-1-oxo-2-hexanyl]carbamate (English)

19 October 2016

2 references

CHEMBL214368 (English)

matched by identifier from

19 October 2016

InChIKey

PWHBUXLKTXHYAP-QHCPKHFHSA-N

1 reference

CHEMBL214368 (English)

19 October 2016

1 reference

0 references

1 reference

2FS9 (English)