N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (Q27213361)

CHEMBL2360807 (English)

N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

11 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₂F₃N₅O₅

1 reference

CHEMBL2360807 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)OC1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C(C)CO

1 reference

CHEMBL2360807 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO

1 reference

CHEMBL2360807 (English)

InChI=1S/C30H32F3N5O5/c1-18-15-38(19(2)17-39)28(41)23-5-4-6-24(36-27(40)20-11-13-34-14-12-20)26(23)43-25(18)16-37(3)29(42)35-22-9-7-21(8-10-22)30(31,32)33/h4-14,18-19,25,39H,15-17H2,1-3H3,(H,35,42)(H,36,40)/t18-,19-,25+/m1/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL2360807 (English)

HRGVVTOWQOHPBJ-RRQZXNHTSA-N

11 October 2016

InChIKey

2 references

CHEMBL2360807 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2R,3R)-5-[(2R)-1-Hydroxy-2-propanyl]-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}isonicotinamide (English)

11 October 2016

2 references

CHEMBL2360807 (English)

matched by identifier from

11 October 2016

InChIKey

HRGVVTOWQOHPBJ-RRQZXNHTSA-N

ChEBI ID

123628

mapping relation type

2 references

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (English)