LSM-6354 (Q27166864)

AKOS015960732 (English)

10 October 2016

chemical formula

C₄₅H₅₄N₄O₈

1 reference

AKOS015960732 (English)

10 October 2016

canonical SMILES

CCC1=CC2CN(C1)CC3=C(C(C2C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC9=CC=CC=C39

1 reference

AKOS015960732 (English)

10 October 2016

isomeric SMILES

CCC1=C[C@@H]2CN(C1)CC3=C([C@@H]([C@H]2C4=C(C=C5C(=C4)[C@]67CCN8[C@H]6C(C=CC8)([C@H]([C@@](C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC9=CC=CC=C39

1 reference

AKOS015960732 (English)

InChI=1S/C45H54N4O8/c1-8-26-19-27-23-48(22-26)24-30-28-13-10-11-14-32(28)46-37(30)36(38(51)55-6)35(27)29-20-31-33(21-34(29)54-5)47(4)40-44(31)16-18-49-17-12-15-43(9-2,39(44)49)41(57-25(3)50)45(40,53)42(52)56-7/h10-15,19-21,27,35-36,39-41,46,53H,8-9,16-18,22-24H2,1-7H3/t27-,35-,36-,39+,40?,41-,43?,44-,45+/m1/s1

10 October 2016

Identifiers

InChI

1 reference

AKOS015960732 (English)

CGXIIXQQCPGCFA-JDGUWALYSA-N

10 October 2016

InChIKey

2 references

AKOS015960732 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

2 references

AKOS015960732 (English)

matched by identifier from

10 October 2016

InChIKey

CGXIIXQQCPGCFA-JDGUWALYSA-N

ChEBI ID

95097

mapping relation type

2 references

LSM-6354 (English)