(3S,10as)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide (Q27452924)

CHEMBL3094408 (English)

19 October 2016

chemical formula

C₃₄H₄₅N₅O₄

1 reference

CHEMBL3094408 (English)

19 October 2016

canonical SMILES

CCC(C(=O)NC(C1CCCCC1)C(=O)N2CC3CC4=CC=CC=C4N3CC2C(=O)NC5CCOC6=CC=CC=C56)NC

1 reference

CHEMBL3094408 (English)

19 October 2016

isomeric SMILES

CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3CC4=CC=CC=C4N3C[C@H]2C(=O)N[C@@H]5CCOC6=CC=CC=C56)NC

1 reference

CHEMBL3094408 (English)

InChI=1S/C34H45N5O4/c1-3-26(35-2)32(40)37-31(22-11-5-4-6-12-22)34(42)39-20-24-19-23-13-7-9-15-28(23)38(24)21-29(39)33(41)36-27-17-18-43-30-16-10-8-14-25(27)30/h7-10,13-16,22,24,26-27,29,31,35H,3-6,11-12,17-21H2,1-2H3,(H,36,41)(H,37,40)/t24-,26-,27+,29-,31-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3094408 (English)

TYXHMZBEDPKUQY-HDFVOGAFSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3094408 (English)

19 October 2016

1 reference

(3S,10aS)-2-[(2S)-2-Cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide (English)

19 October 2016

2 references