2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide (Q27165569)

Bacterenomycin (English)

9 October 2016

chemical formula

C₂₂H₂₉N₇O₅

1 reference

Bacterenomycin (English)

9 October 2016

canonical SMILES

CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

1 reference

Bacterenomycin (English)

9 October 2016

isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

1 reference

Bacterenomycin (English)

InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14?,15-,16-,18-,22-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Bacterenomycin (English)

RXWNCPJZOCPEPQ-ZRKVXJNMSA-N

9 October 2016

InChIKey

2 references

Bacterenomycin (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

5682-30-4

1 reference

stated in

25 January 2022

1 reference

3'-Deoxy-N,N-dimethyl-3'-[(O-methyltyrosyl)amino]adenosine (English)

9 October 2016

2 references

Bacterenomycin (English)

matched by identifier from

9 October 2016

InChIKey

RXWNCPJZOCPEPQ-ZRKVXJNMSA-N

ChEBI ID

93834

mapping relation type

2 references

2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide (English)