(6R,8S,11S)-11-cyclohexyl-N-(1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide (Q27463817)

CID49867378 (English)

19 October 2016

chemical formula

C₄₂H₅₆N₆O₉

1 reference

CID49867378 (English)

19 October 2016

canonical SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC3CN2C(=O)C(NC(=O)CCC4=CC(=CC=C4)OCCO3)C5CCCCC5

1 reference

CID49867378 (English)

19 October 2016

isomeric SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N(C)C)NC(=O)[C@@H]2C[C@@H]3CN2C(=O)[C@@H](NC(=O)CCC4=CC(=CC=C4)OCCO3)C5CCCCC5

1 reference

CID49867378 (English)

InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CID49867378 (English)

RJPSYFVTRHPRGV-HVHRWFTHSA-N

19 October 2016

InChIKey

1 reference

CID49867378 (English)

19 October 2016

1 reference

(6R,8S,11S)-11-Cyclohexyl-N-{(3S)-1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20) (English)

19 October 2016

1 reference