(Q27096808)

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

19 October 2016

chemical formula

C₂₂H₂₆F₃N₃O₄S

1 reference

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

19 October 2016

canonical SMILES

C1CC1(CN)NC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)NC(C3=CC=C(C=C3)O)C(F)(F)F

1 reference

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

19 October 2016

isomeric SMILES

C1CC1(CN)NC(=O)[C@H](CS(=O)(=O)CC2=CC=CC=C2)N[C@@H](C3=CC=C(C=C3)O)C(F)(F)F

1 reference

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

InChI=1S/C22H26F3N3O4S/c23-22(24,25)19(16-6-8-17(29)9-7-16)27-18(20(30)28-21(14-26)10-11-21)13-33(31,32)12-15-4-2-1-3-5-15/h1-9,18-19,27,29H,10-14,26H2,(H,28,30)/t18-,19-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

DWWVPKCSDHDILN-OALUTQOASA-N

19 October 2016

InChIKey

1 reference

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

19 October 2016

1 reference

N-[1-(Aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-L-alaninamide (English)

19 October 2016

2 references

N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE (English)

matched by identifier from

19 October 2016

InChIKey

DWWVPKCSDHDILN-OALUTQOASA-N

1 reference

1 reference

matched by identifier from

InChIKey

DWWVPKCSDHDILN-OALUTQOASA-N

0 references

0 references

1 reference

2FRA (English)