(3R,4S)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide (Q27216051)

BRD-A72322024-001-01-8 (English)

11 October 2016

chemical formula

C₂₅H₃₅N₉O₅

1 reference

BRD-A72322024-001-01-8 (English)

11 October 2016

canonical SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)NCCN)O)O

1 reference

BRD-A72322024-001-01-8 (English)

11 October 2016

isomeric SMILES

CCNC(=O)C1[C@@H]([C@@H](C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)NCCN)O)O

1 reference

BRD-A72322024-001-01-8 (English)

InChI=1S/C25H35N9O5/c1-2-28-23(38)20-18(36)19(37)24(39-20)34-13-31-17-21(27)32-25(33-22(17)34)30-11-9-15-5-3-14(4-6-15)7-8-16(35)29-12-10-26/h3-6,13,18-20,24,36-37H,2,7-12,26H2,1H3,(H,28,38)(H,29,35)(H3,27,30,32,33)/t18-,19+,20?,24?/m1/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-A72322024-001-01-8 (English)

UXUFTKZYJYGMGO-DTUBHJHESA-N

11 October 2016

InChIKey

2 references

BRD-A72322024-001-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A72322024-001-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

UXUFTKZYJYGMGO-DTUBHJHESA-N

ChEBI ID

125435

mapping relation type

2 references

(3R,4S)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide (English)