(1S)-1-(hydroxymethyl)-7-methoxy-2-(1-oxobutyl)-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (Q27216606)

BRD-K03515135-001-01-5 (English)

(1R)-1-(hydroxymethyl)-7-methoxy-2-(1-oxobutyl)-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

11 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂N₄O₄

1 reference

BRD-K03515135-001-01-5 (English)

11 October 2016

canonical SMILES

CCCC(=O)N1CC2(CN(C2)C(=O)NC(C)C)C3=C(C1CO)NC4=C3C=CC(=C4)OC

1 reference

BRD-K03515135-001-01-5 (English)

11 October 2016

isomeric SMILES

CCCC(=O)N1CC2(CN(C2)C(=O)NC(C)C)C3=C([C@H]1CO)NC4=C3C=CC(=C4)OC

1 reference

BRD-K03515135-001-01-5 (English)

InChI=1S/C23H32N4O4/c1-5-6-19(29)27-13-23(11-26(12-23)22(30)24-14(2)3)20-16-8-7-15(31-4)9-17(16)25-21(20)18(27)10-28/h7-9,14,18,25,28H,5-6,10-13H2,1-4H3,(H,24,30)/t18-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-K03515135-001-01-5 (English)

QJIONCXBIFUOGD-GOSISDBHSA-N

11 October 2016

InChIKey

2 references

BRD-K03515135-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K03515135-001-01-5 (English)

matched by identifier from

11 October 2016

InChIKey

QJIONCXBIFUOGD-GOSISDBHSA-N

ChEBI ID

125900

mapping relation type

2 references

(1S)-1-(hydroxymethyl)-7-methoxy-2-(1-oxobutyl)-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (English)