(Q27215518)

PCL2_000472 (English)

11 October 2016

chemical formula

C₃₃H₄₁N₃O₅

1 reference

PCL2_000472 (English)

11 October 2016

canonical SMILES

CC(C)CNC(=O)C1(CC(=O)N(C1C2=CC=C(C=C2)CO)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)[N+](=O)[O-]

1 reference

PCL2_000472 (English)

11 October 2016

isomeric SMILES

CC(C)CNC(=O)[C@]1(CC(=O)N([C@@H]1C2=CC=C(C=C2)CO)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)[N+](=O)[O-]

1 reference

PCL2_000472 (English)

InChI=1S/C33H41N3O5/c1-21(2)18-34-31(39)33(27-7-9-28(10-8-27)36(40)41)17-29(38)35(30(33)26-5-3-22(19-37)4-6-26)20-32-14-23-11-24(15-32)13-25(12-23)16-32/h3-10,21,23-25,30,37H,11-20H2,1-2H3,(H,34,39)/t23?,24?,25?,30-,32?,33-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

PCL2_000472 (English)

ZSYSQPVEJDVQBZ-YBEMHDNGSA-N

11 October 2016

InChIKey

2 references

PCL2_000472 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

PCL2_000472 (English)

11 October 2016

ChEBI ID

125170

mapping relation type

1 reference